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- PDB-5o32: The structure of complement complex -

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Basic information

Entry
Database: PDB / ID: 5o32
TitleThe structure of complement complex
Components
  • (Complement C3Complement component 3) x 2
  • (Complement factor ...Complement system) x 3
KeywordsIMMUNE SYSTEM / complement / complex / regulation / RCA
Function / homology
Function and homology information


complement factor I / regulation of complement activation, alternative pathway / symbiont cell surface / oviduct epithelium development / C5L2 anaphylatoxin chemotactic receptor binding / regulation of triglyceride biosynthetic process / positive regulation of activation of membrane attack complex / complement component C3b binding / vertebrate eye-specific patterning / regulation of complement-dependent cytotoxicity ...complement factor I / regulation of complement activation, alternative pathway / symbiont cell surface / oviduct epithelium development / C5L2 anaphylatoxin chemotactic receptor binding / regulation of triglyceride biosynthetic process / positive regulation of activation of membrane attack complex / complement component C3b binding / vertebrate eye-specific patterning / regulation of complement-dependent cytotoxicity / positive regulation of apoptotic cell clearance / complement-mediated synapse pruning / regulation of complement activation / Alternative complement activation / positive regulation of lipid storage / positive regulation of G protein-coupled receptor signaling pathway / positive regulation of phagocytosis, engulfment / complement receptor mediated signaling pathway / Activation of C3 and C5 / heparan sulfate proteoglycan binding / positive regulation of type IIa hypersensitivity / positive regulation of glucose transmembrane transport / complement-dependent cytotoxicity / serine-type endopeptidase complex / complement activation, alternative pathway / complement activation / neuron remodeling / endopeptidase inhibitor activity / amyloid-beta clearance / positive regulation of vascular endothelial growth factor production / Purinergic signaling in leishmaniasis infection / complement activation, classical pathway / Peptide ligand-binding receptors / fatty acid metabolic process / Regulation of Complement cascade / Post-translational protein phosphorylation / response to bacterium / positive regulation of receptor-mediated endocytosis / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / positive regulation of angiogenesis / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / azurophil granule lumen / heparin binding / G alpha (i) signalling events / blood microparticle / secretory granule lumen / immune response / inflammatory response / positive regulation of protein phosphorylation / G protein-coupled receptor signaling pathway / endoplasmic reticulum lumen / signaling receptor binding / serine-type endopeptidase activity / innate immune response / Neutrophil degranulation / cell surface / signal transduction / protein-containing complex / proteolysis / extracellular space / extracellular exosome / extracellular region / membrane / identical protein binding / metal ion binding / plasma membrane
Similarity search - Function
: / : / Complement factor I, FIMAC N-terminal domain / Complement factor I, KAZAL domain / Scavenger receptor cysteine-rich domain / Factor I / membrane attack complex / factor I membrane attack complex / SRCR domain / SRCR domain profile. / SRCR-like domain ...: / : / Complement factor I, FIMAC N-terminal domain / Complement factor I, KAZAL domain / Scavenger receptor cysteine-rich domain / Factor I / membrane attack complex / factor I membrane attack complex / SRCR domain / SRCR domain profile. / SRCR-like domain / SRCR-like domain superfamily / Scavenger receptor Cys-rich / : / : / Complement component 3, CUB domain 2 / Complement component 3, CUB domain 1 / Complement C3-like, NTR domain / Alpha-2-macroglobulin, conserved site / Alpha-2-macroglobulin family thiolester region signature. / Complement C3/4/5, macroglobulin domain MG1 / Macroglobulin domain MG1 / : / Alpha-macro-globulin thiol-ester bond-forming region / Anaphylatoxin, complement system domain / Anaphylatoxin domain signature. / Anaphylatoxin/fibulin / Anaphylatoxin, complement system / Anaphylotoxin-like domain / Anaphylatoxin domain profile. / Anaphylatoxin homologous domain / Kazal domain superfamily / Netrin C-terminal Domain / Netrin module, non-TIMP type / UNC-6/NTR/C345C module / Kazal domain / Kazal domain profile. / Netrin domain / NTR domain profile. / Alpha-macroglobulin, receptor-binding / Alpha-macroglobulin, receptor-binding domain superfamily / Macroglobulin domain MG4 / Macroglobulin domain MG3 / A-macroglobulin receptor binding domain / Macroglobulin domain MG4 / Macroglobulin domain MG3 / A-macroglobulin receptor / Tissue inhibitor of metalloproteinases-like, OB-fold / Alpha-2-macroglobulin / Macroglobulin domain / Alpha-2-macroglobulin, bait region domain / Alpha-macroglobulin-like, TED domain / Alpha-2-macroglobulin family / MG2 domain / A-macroglobulin TED domain / Alpha-2-macroglobulin bait region domain / Alpha-2-Macroglobulin / Alpha-2-macroglobulin family / Low-density lipoprotein receptor domain class A / Low-density lipoprotein (LDL) receptor class A, conserved site / LDL-receptor class A (LDLRA) domain signature. / LDL-receptor class A (LDLRA) domain profile. / Low-density lipoprotein receptor domain class A / Low-density lipoprotein (LDL) receptor class A repeat / LDL receptor-like superfamily / Sushi repeat (SCR repeat) / Domain abundant in complement control proteins; SUSHI repeat; short complement-like repeat (SCR) / Sushi/SCR/CCP domain / Sushi/SCR/CCP superfamily / Sushi/CCP/SCR domain profile. / Terpenoid cyclases/protein prenyltransferase alpha-alpha toroid / Serine proteases, trypsin family, histidine active site / Serine proteases, trypsin family, serine active site / Peptidase S1A, chymotrypsin family / Serine proteases, trypsin family, histidine active site. / Serine proteases, trypsin domain profile. / Serine proteases, trypsin family, serine active site. / Trypsin-like serine protease / Serine proteases, trypsin domain / Trypsin / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan / Immunoglobulin-like fold
Similarity search - Domain/homology
MALONATE ION / Complement C3 / Complement factor I / Complement factor H
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.20620907647 Å
AuthorsXue, X. / Wu, J. / Forneris, F. / Gros, P.
Funding support Netherlands, United States, 3items
OrganizationGrant numberCountry
ERC Advanced grant233229 Netherlands
NWO Spinoza01.80.104.00 Netherlands
NIH R01AI030040-16 United States
CitationJournal: Nat. Struct. Mol. Biol. / Year: 2017
Title: Regulator-dependent mechanisms of C3b processing by factor I allow differentiation of immune responses.
Authors: Xue, X. / Wu, J. / Ricklin, D. / Forneris, F. / Di Crescenzio, P. / Schmidt, C.Q. / Granneman, J. / Sharp, T.H. / Lambris, J.D. / Gros, P.
History
DepositionMay 23, 2017Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 28, 2017Provider: repository / Type: Initial release
Revision 1.1Jul 12, 2017Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.2Aug 16, 2017Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Oct 16, 2019Group: Data collection / Category: reflns_shell
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_conn_angle / pdbx_validate_close_contact / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_auth_comp_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_atom_id / _atom_site_anisotrop.pdbx_label_comp_id / _atom_site_anisotrop.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.pdbx_value_order / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Complement C3
B: Complement C3
C: Complement factor H,Complement factor H
D: Complement factor I
I: Complement factor I
E: Complement C3
F: Complement C3
G: Complement factor H,Complement factor H
H: Complement factor I
J: Complement factor I
hetero molecules


Theoretical massNumber of molelcules
Total (without water)569,30633
Polymers563,63810
Non-polymers5,66723
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area55510 Å2
ΔGint-107 kcal/mol
Surface area221440 Å2
MethodPISA
Unit cell
Length a, b, c (Å)116.370, 122.790, 157.200
Angle α, β, γ (deg.)69.764, 76.101, 70.130
Int Tables number1
Space group name H-MP1
Space group name HallP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain B and (resseq 752:778 or resseq 780:878 or resseq...B752 - 778
121(chain B and (resseq 752:778 or resseq 780:878 or resseq...B780 - 878
131(chain B and (resseq 752:778 or resseq 780:878 or resseq...B880 - 936
141(chain B and (resseq 752:778 or resseq 780:878 or resseq...B938 - 952
151(chain B and (resseq 752:778 or resseq 780:878 or resseq...B955 - 987
161(chain B and (resseq 752:778 or resseq 780:878 or resseq...B991 - 1305
171(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1307 - 1351
181(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1354 - 1371
191(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1381 - 1495
1101(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1499
1111(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1502 - 1575
1121(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1577 - 1578
1131(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1581 - 1591
1141(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1593 - 1614
1151(chain B and (resseq 752:778 or resseq 780:878 or resseq...B1616 - 1662
211(chain F and (resseq 752:778 or resseq 780:878 or resseq...F752 - 778
221(chain F and (resseq 752:778 or resseq 780:878 or resseq...F780 - 878
231(chain F and (resseq 752:778 or resseq 780:878 or resseq...F880 - 936
241(chain F and (resseq 752:778 or resseq 780:878 or resseq...F938 - 952
251(chain F and (resseq 752:778 or resseq 780:878 or resseq...F955 - 987
261(chain F and (resseq 752:778 or resseq 780:878 or resseq...F991 - 1305
271(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1307 - 1351
281(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1354 - 1371
291(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1381 - 1495
2101(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1499
2111(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1502 - 1575
2121(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1577 - 1578
2131(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1581 - 1591
2141(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1593 - 1614
2151(chain F and (resseq 752:778 or resseq 780:878 or resseq...F1616 - 1662
122(chain H and (resseq 27:166 or resseq 169 or resseq...H27 - 166
132(chain H and (resseq 27:166 or resseq 169 or resseq...H169
142(chain H and (resseq 27:166 or resseq 169 or resseq...H171 - 172
152(chain H and (resseq 27:166 or resseq 169 or resseq...H178 - 182
162(chain H and (resseq 27:166 or resseq 169 or resseq...H184 - 186
172(chain H and (resseq 27:166 or resseq 169 or resseq...H188 - 200
182(chain H and (resseq 27:166 or resseq 169 or resseq...H204
192(chain H and (resseq 27:166 or resseq 169 or resseq...H208
1102(chain H and (resseq 27:166 or resseq 169 or resseq...H210 - 217
1112(chain H and (resseq 27:166 or resseq 169 or resseq...H228 - 236
1122(chain H and (resseq 27:166 or resseq 169 or resseq...H238 - 294
1132(chain H and (resseq 27:166 or resseq 169 or resseq...H306 - 322
1142(chain H and (resseq 27:166 or resseq 169 or resseq...H325 - 330
1152(chain H and (resseq 27:166 or resseq 169 or resseq...H340 - 395
1162(chain H and (resseq 27:166 or resseq 169 or resseq...H397 - 404
1172(chain H and (resseq 27:166 or resseq 169 or resseq...H406 - 418
1182(chain H and (resseq 27:166 or resseq 169 or resseq...H420 - 441
1192(chain H and (resseq 27:166 or resseq 169 or resseq...H443 - 470
1202(chain H and (resseq 27:166 or resseq 169 or resseq...H473 - 475
1212(chain H and (resseq 27:166 or resseq 169 or resseq...H477 - 550
1222(chain H and (resseq 27:166 or resseq 169 or resseq...H553
1232(chain H and (resseq 27:166 or resseq 169 or resseq...H555 - 567
1242(chain H and (resseq 27:166 or resseq 169 or resseq...H569 - 575
1252(chain H and (resseq 27:166 or resseq 169 or resseq...H577 - 580
1262(chain H and (resseq 27:166 or resseq 169 or resseq...H670
1272(chain H and (resseq 27:166 or resseq 169 or resseq...H703
212(chain D and (resseq 27:166 or resseq 169 or resseq...D27 - 166
222(chain D and (resseq 27:166 or resseq 169 or resseq...D169
232(chain D and (resseq 27:166 or resseq 169 or resseq...D171 - 172
242(chain D and (resseq 27:166 or resseq 169 or resseq...D178 - 182
252(chain D and (resseq 27:166 or resseq 169 or resseq...D184 - 186
262(chain D and (resseq 27:166 or resseq 169 or resseq...D188 - 200
272(chain D and (resseq 27:166 or resseq 169 or resseq...D204
282(chain D and (resseq 27:166 or resseq 169 or resseq...D208
292(chain D and (resseq 27:166 or resseq 169 or resseq...D210 - 217
2102(chain D and (resseq 27:166 or resseq 169 or resseq...D228 - 236
2112(chain D and (resseq 27:166 or resseq 169 or resseq...D238 - 294
2122(chain D and (resseq 27:166 or resseq 169 or resseq...D306 - 322
2132(chain D and (resseq 27:166 or resseq 169 or resseq...D325 - 330
2142(chain D and (resseq 27:166 or resseq 169 or resseq...D340 - 395
2152(chain D and (resseq 27:166 or resseq 169 or resseq...D397 - 404
2162(chain D and (resseq 27:166 or resseq 169 or resseq...D406 - 418
2172(chain D and (resseq 27:166 or resseq 169 or resseq...D420 - 441
2182(chain D and (resseq 27:166 or resseq 169 or resseq...D443 - 470
2192(chain D and (resseq 27:166 or resseq 169 or resseq...D473 - 475
2202(chain D and (resseq 27:166 or resseq 169 or resseq...D477 - 550
2212(chain D and (resseq 27:166 or resseq 169 or resseq...D553
2222(chain D and (resseq 27:166 or resseq 169 or resseq...D555 - 567
2232(chain D and (resseq 27:166 or resseq 169 or resseq...D569 - 575
2242(chain D and (resseq 27:166 or resseq 169 or resseq...D577 - 580
2252(chain D and (resseq 27:166 or resseq 169 or resseq...D670
2262(chain D and (resseq 27:166 or resseq 169 or resseq...D703
113(chain A and (resseq 23:97 or resseq 101:445 or (resid...A23 - 97
123(chain A and (resseq 23:97 or resseq 101:445 or (resid...A101 - 480
133(chain A and (resseq 23:97 or resseq 101:445 or (resid...A482 - 664
143(chain A and (resseq 23:97 or resseq 101:445 or (resid...A1669 - 1672
153(chain A and (resseq 23:97 or resseq 101:445 or (resid...A1674
213(chain E and (resseq 23:97 or resseq 101:445 or (resid...E23 - 97
223(chain E and (resseq 23:97 or resseq 101:445 or (resid...E101 - 480
233(chain E and (resseq 23:97 or resseq 101:445 or (resid...E482 - 664
243(chain E and (resseq 23:97 or resseq 101:445 or (resid...E1669 - 1672
253(chain E and (resseq 23:97 or resseq 101:445 or (resid...E1674

NCS ensembles :
ID
1
2
3

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Components

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Protein , 2 types, 4 molecules AEBF

#1: Protein Complement C3 / Complement component 3 / C3 and PZP-like alpha-2-macroglobulin domain-containing protein 1


Mass: 71393.320 Da / Num. of mol.: 2 / Fragment: beta chain, UNP residues 23-667 / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P01024
#2: Protein Complement C3 / Complement component 3 / C3 and PZP-like alpha-2-macroglobulin domain-containing protein 1


Mass: 104073.164 Da / Num. of mol.: 2 / Fragment: alpha chain, UNP residues 749-1663 / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P01024

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Complement factor ... , 3 types, 6 molecules CGDHIJ

#3: Protein Complement factor H,Complement factor H / H factor 1


Mass: 42767.074 Da / Num. of mol.: 2
Fragment: UNP residues 19-264,UNP residues 1107-1230,UNP residues 19-264,UNP residues 1107-1230
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CFH, HF, HF1, HF2 / Cell line (production host): HEK293E / Production host: Homo sapiens (human) / References: UniProt: P08603
#4: Protein Complement factor I / / C3B/C4B inactivator


Mass: 35963.117 Da / Num. of mol.: 2 / Fragment: UNP Residues 19-339
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CFI, IF / Cell line (production host): HEK293E / Production host: Homo sapiens (human) / References: UniProt: P05156, complement factor I
#5: Protein Complement factor I / / C3B/C4B inactivator


Mass: 27622.352 Da / Num. of mol.: 2 / Fragment: UNP Residues 340-583
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CFI, IF / Cell line (production host): HEK293E / Production host: Homo sapiens (human) / References: UniProt: P05156, complement factor I

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Sugars , 3 types, 16 molecules

#6: Polysaccharide beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...beta-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-3[DManpb1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2-2-2/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][b-D-Manp]{}[(6+1)][b-D-Manp]{}}}}}LINUCSPDB-CARE
#7: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 2 / Source method: obtained synthetically
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#9: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 2 types, 7 molecules

#8: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Formula: Ca
#10: Chemical ChemComp-MLI / MALONATE ION / Malonic acid


Mass: 102.046 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H2O4

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.56 Å3/Da / Density % sol: 65.47 %
Crystal growTemperature: 291.15 K / Method: vapor diffusion, hanging drop / Details: 60mM sodium malonate PH5.0 6% w/v PEG3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 0.988 Å
DetectorType: DECTRIS PILATUS 2M / Detector: PIXEL / Date: May 4, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.988 Å / Relative weight: 1
ReflectionResolution: 4.2→49.2 Å / Num. obs: 55430 / % possible obs: 93.4 % / Redundancy: 3.5 % / Biso Wilson estimate: 83.4330841818 Å2 / CC1/2: 0.989 / Rmerge(I) obs: 0.174 / Rpim(I) all: 0.109 / Net I/σ(I): 6.1

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Processing

Software
NameVersionClassification
PHENIX1.10.1_2155refinement
XDS20161101data reduction
Aimless0.5.32data scaling
PHASER2.7.17phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 4.20620907647→49.1341944258 Å / SU ML: 0.513056330322 / Cross valid method: FREE R-VALUE / σ(F): 1.98620697036 / Phase error: 25.322159147
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.254066763601 2622 5.08238030626 %
Rwork0.228893404061 48968 -
obs0.230193326461 51590 93.4059965238 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 108.243236439 Å2
Refinement stepCycle: LAST / Resolution: 4.20620907647→49.1341944258 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms38732 0 359 0 39091
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0036513812417240042
X-RAY DIFFRACTIONf_angle_d0.83811035866154225
X-RAY DIFFRACTIONf_chiral_restr0.04968024295816020
X-RAY DIFFRACTIONf_plane_restr0.004508057864496976
X-RAY DIFFRACTIONf_dihedral_angle_d14.515568017524380
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
4.2062-4.28270.309383653745260.306571806785485X-RAY DIFFRACTION17.3750425026
4.2827-4.3650.3124740455411150.3037935418271675X-RAY DIFFRACTION62.6531326566
4.365-4.4540.2702519417251470.2966030169362711X-RAY DIFFRACTION97.4761255116
4.454-4.55080.3056119035171510.2673622529482751X-RAY DIFFRACTION99.9311294766
4.5508-4.65660.2824564237781600.2544787767612752X-RAY DIFFRACTION99.897084048
4.6566-4.77290.2707608424471680.2493436201982742X-RAY DIFFRACTION99.8627316404
4.7729-4.90190.2810200397141470.2467551871312771X-RAY DIFFRACTION99.9315068493
4.9019-5.0460.2820620594661290.2488050730592765X-RAY DIFFRACTION100
5.046-5.20870.2770540527591360.2408537069582738X-RAY DIFFRACTION99.9304589708
5.2087-5.39460.2771983683051350.2480305652482763X-RAY DIFFRACTION99.9655053467
5.3946-5.61030.3188066170941180.2431967533832825X-RAY DIFFRACTION99.9660326087
5.6103-5.86530.2683792214241570.2581922395982735X-RAY DIFFRACTION99.861878453
5.8653-6.17390.296169680251430.2564489256822753X-RAY DIFFRACTION99.8276456394
6.1739-6.55990.2659720261211500.2460972694162771X-RAY DIFFRACTION99.8974008208
6.5599-7.0650.2606770753551500.2382742702132733X-RAY DIFFRACTION99.9306759099
7.065-7.77350.2710356007351430.2182617849622781X-RAY DIFFRACTION99.9658119658
7.7735-8.89260.2188024714271530.1879709480542746X-RAY DIFFRACTION99.9655172414
8.8926-11.18190.1557756050861320.1498611689332744X-RAY DIFFRACTION99.4467496542
11.1819-49.13750.1817344332951620.1651678872162727X-RAY DIFFRACTION99.312478515
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
11.86562547881.06861735970.3096863819535.44459078484-0.666095552194.39913733516-0.817009103151-0.2288944701340.12131628964-0.9483191892961.004196660030.9566877240610.295307237565-0.5939759833040.740477566050.5680527850070.278709643797-0.01426785690060.6276516825470.06739368522710.6935904481572.15919549528-37.4218984746-52.6488873124
24.359711994091.52798934726-2.044532182272.701507194840.3347697052591.592066445350.541158827599-0.630464838808-0.5770276156460.102434544263-0.452564987104-0.6904395009270.2566337638580.836543029381-0.01902202072030.3568487033470.5161680635830.1537602617730.733056669782-0.04555683820230.26882157271211.0860212544-38.8867345635-17.7009343018
32.493091369890.8554729633870.1323623017113.9603621235-2.300218768012.38105547930.519898375333-0.9493545592360.4077029556810.0851209554769-0.955791708521-0.370279108954-0.6008862093550.9055410325150.5237554148181.43557971004-0.4519518607110.01034247113241.487461231950.1394678285970.66867892125231.2927894184-10.0149919241-7.87059324921
45.365425346633.614369789871.59465618525.245668432752.858812228468.90825792501-0.288845671391-0.2132957114880.3598690925820.2385951274120.3383952848320.599198954111-0.1528761528880.843744253915-0.02272515522590.8156555398520.108672974119-0.01503372676180.4945177658480.02715814716950.62649569273823.884499052-5.42743679913-41.7031256337
55.005097727670.2771706488670.8127204870373.6874805842-0.563321635934.338854646840.04402008819960.5582429875890.881810283998-0.7660415163930.3899911322020.562890285337-0.833315346536-0.055441093898-0.3944261567991.094725052760.1932973290020.0732009598260.5322355444970.103274770690.6197455046025.60518612612-15.4227327971-53.5928543945
60.978226447704-0.193522544348-0.5994127465570.987367713657-0.1449941240071.394105892350.379808579411-0.5281900648780.2744587168780.478254484228-0.2571073183280.596127250414-0.6693591733250.1188581133550.481947225490.8216637806310.2490554588190.590222638770.893854000384-0.3048749547950.581846910511-3.13650987806-21.8527187953-6.36374493437
71.286995494610.5631040888380.2737705721240.732718761414-0.2303227423990.271098771498-0.225579766432-0.26847588769-0.3540800344510.01406081925710.580251696894-0.2252755879210.5295072157780.539784762006-0.07952557264640.3059528020040.3716171279370.001762895315450.8543078417080.06924121760780.67168838136314.7680391938-26.7702227263-40.2064790772
80.5938587673590.471761623587-0.4473885322320.505578978772-0.9400775132982.992722431290.264405385352-0.5417803213380.1984972990391.16772542912-0.4569060737370.288336146017-0.581606643940.067911654236-0.007033882680671.45086238132-0.4299143372140.153443944411.43580811981-0.1990935937240.54211716738611.5302545533-22.8966368818.78814064
91.63690975788-1.688794533350.2273974528572.54768992143-1.661578440335.285456892310.353787658141-0.04160712877390.6841489549081.05764971545-0.62757433901-0.634798443954-0.7315436267080.9012754194980.3596593421431.65619859086-0.653203632289-0.2303184993782.031133047920.1839707179350.78108015556732.6420178694-15.516700195420.3164648634
100.4071547982310.6068947837580.8544064142090.9482863130630.7175020885253.911436481810.327658394968-0.477092036826-0.3508957143240.15780557387-0.0701562103275-0.3214885581460.887282946230.488136543077-0.2832486769340.9403865021460.352424553155-0.107278275731.692575680650.0380532450291.1710959270825.2404170985-59.1404587748-7.33544776103
113.87782593514-0.0831617489889-0.1179831445273.911848436241.793554317510.845028699749-0.41225776779-0.335036555526-0.3022959024491.619179482440.439767014820.217996401083-0.9284454632180.380264945766-0.3398151331282.2961164556-0.424899689641-0.05886255033011.632492729310.4494179769160.85473803395826.6919351763-38.285368755928.2668358675
124.142955725530.556974986639-0.9868301229952.66697332901-0.09215608117070.3098786749050.165387184969-0.4979887635990.04864642123380.210993981612-0.2512890417240.0718748867914-0.2934706425320.8869075795480.1279990470461.3304418144-0.360994135869-0.2112741283591.841774029030.2033325194960.76352577269813.653393548-47.994133660246.4485552184
133.38558538666-0.8135758465170.5654389651262.55134621368-0.6603588883612.355365972490.105277513136-0.331976952866-0.8252982922680.1421975743820.66220949627-0.4509877792750.377717989597-0.0471839945244-0.2316316690610.349572169820.2979025982420.09787335376160.702780185765-0.396391244780.6273123508124.9536913045-68.1715988664-61.8420893065
141.930728602171.07499264527-0.3751336118571.13971490547-0.8952887362640.945661074752-0.386665054123-0.2453953963760.5095412811660.6922338211340.09019584635790.714974877786-0.0397409607359-0.5184297189020.1933862028571.673765354170.02150214487760.4993675795341.26716632235-0.3602895005081.02270104363-20.9971557626-16.402930666432.4710606382
152.38141082011-1.66005413766-0.3389682964337.831105112911.633160058622.159531063850.3808970511790.1818304259230.6987993805370.339940888533-0.903000039575-0.116570533590.284090298949-1.295642030580.4788446459010.6560198218130.05152851831450.2133416902790.899156705533-0.1311418489880.540824118844-9.00989197983-36.52862107983.85050007035
164.96136569587-0.437194672041-3.216529765164.122055618990.1374587789265.01328767956-0.9824720114830.612702656899-0.5817323797270.2084600075220.4044170507070.09744302240421.882485822080.1759818747770.4120041187331.237590743270.08829068827670.2293613036580.602373189030.05916739896250.601882885125-0.312337044004-59.0682691767-24.7380570247
173.73896531953.21955387515-5.165893464035.54043643104-5.057579804947.959112364350.38791122410.8103812066580.6477516570950.3598907978671.319461929042.33204439163-1.17325702519-1.88437140656-1.655198423950.837757723750.2229273959020.04115363481351.2806690090.1240385536841.1756524775-0.995483616584-61.6623590388-58.8401544828
187.125605829122.858113341111.344740362656.325560874531.940832835627.51044501439-0.711065654154-0.248814762824-0.445567490666-0.726350479982-0.09869812624640.4412469774941.64338615169-2.56445612960.6369614594561.39601892107-0.361937285756-0.1783536596591.229320203560.1422467589721.1865892209-0.801426002319-86.069248425-73.0975169748
190.22120338926-0.2957106750970.3504646835642.68841200165-0.7060547397663.189768296470.960820749756-0.558821045241-1.647002735680.424760259251-0.2346116600270.08789259502880.338082442921.42625555907-0.6652463053981.216233115180.101169618979-0.1521366276891.70635502884-0.1181151430641.9972366693927.1832160269-105.852595685-77.120104004
201.566452390290.04157891143410.01851765332163.655994242110.09327559066981.567817178090.09606996560480.128937857392-0.0582740626074-0.246199847908-0.0445498469789-0.07305843122550.3032484698610.0701667474168-0.03930016973871.27325494395-0.162107197277-0.2494769419391.270190625120.3949294883610.739315531556-6.7211586359-81.482016361448.3704331182
212.682316775330.1250797577110.3146106385893.29289773322-1.399463423774.079293542080.49947442711-0.18583406754-0.4081731726770.447755020018-0.733855145205-0.469295387971.036964458550.5542670656760.1999536760521.263701895520.0435659679949-0.06065923701750.9729276684040.2494798400760.5931040501951.97146318115-66.638383774610.4005402754
225.835572482670.006434531959-1.844072021296.141023661030.09730181343674.8538578654-0.898268992446-0.3857391621950.413720995988-0.5119684727030.208573986005-1.230190033950.440905962910.2557845829280.5134387154451.02195283784-0.014415695004-0.1890008896730.3690524256560.04523926206790.685181344488-30.3536586286-83.9259516246-54.2604274671
233.268079214990.02132070316581.342517466392.21115038439-0.3203635371432.445571015940.298178361341-0.1598877682540.0209339281716-0.2564871765740.209785724760.2865603074360.160179415862-1.11770758182-0.3426174249340.4973242790540.273589474878-0.1654502108710.6143620510650.0572737577780.378364731722-46.3963163052-79.9694490761-21.9804949344
244.051160749682.748141241053.182833356215.270062753773.409914370473.13730067911-0.0620609090566-0.4685557310010.1537179701910.0303995727595-0.7591319796690.9719060766840.337087946996-0.8109875023020.8228633308210.87407114456-0.1494259337230.1960583183431.216758739-0.1936744450510.828015840084-67.9359113863-108.407332875-14.2802199152
255.02583911822.32491376145-2.49902295237.11177454954-1.789518118452.60235437892-0.61075654702-0.1361888774350.0279901854403-0.9852882008090.3255523248460.03273265892450.0992671650734-0.375327703950.2261356000360.692686392878-0.0720466853436-0.2586782461160.576199921517-0.0640457216480.965951923834-53.9760366731-115.30900697-45.6634257406
262.24339027986-0.142195364641-0.1251970047612.694101204392.556942168752.70242638361-0.271143147190.367741466112-0.449089665817-0.9984887619930.475157056616-0.3608139390040.932136541956-0.0697610766308-0.09979746470321.68207793525-0.0263053930690.05535196724290.441772684706-0.1385881522550.731639976912-33.6049936496-106.008369038-54.2295986504
271.25970900634-0.5246294643440.5435011006741.08776908164-0.77579636843.334598651890.387476123385-0.358474258228-0.2809058448730.755486358579-0.311579714569-0.615601616550.02923644653520.110580008573-0.02839442784270.743339615673-0.057195339576-0.3191156111690.78308987610.1667303328890.569390937484-34.5551810868-95.8332504594-6.78413397274
281.3713461980.1954458266150.1483655168943.722550126360.5116745848460.0825122378432-0.0749000742073-0.4320280702320.407378112988-1.171929256260.5597451774240.091498542711-0.0775918353101-0.6808419124631.760947562630.1960652398430.188147424461-0.3266890615290.918415833297-0.05961135593070.479950053795-45.3263274613-93.7503214325-43.8736153247
291.39234892670.155376531839-0.3713428227495.911121555750.9315277711362.192951398530.107746979877-0.428151628244-0.03115535111431.35526961015-0.4366043319770.2450600701790.58441232311-0.3419338165690.3593021000020.965285010922-0.1682435777080.05816910550411.263176570340.003713942103770.566980196968-53.974248949-93.113894269614.8057142531
302.04329311478-0.4551038116010.6373656723473.32737114219-0.4393783916342.58859509439-0.3012072647830.200372903935-0.590956150630.863556653469-0.3727937319960.672065091542-0.0744857004711-0.5752752817860.5754674161941.14278662032-0.3382406540430.497585754631.78283418362-0.2179866487851.06485238989-74.8532462556-101.01602984912.6300182678
312.348956939851.08243770102-1.040328620481.89310706638-1.205770062474.92463954290.307083973002-0.2268902053280.2090563096130.06350221841350.04722333724950.572907851047-0.714331366371-0.692952383151-0.390562433360.8263434727470.39473044442-0.07118748414771.338864574460.021405455370.904325321028-62.3971965743-59.3404876528-15.9029777332
321.655038976271.218127542190.3069764728375.99582114768-2.949595222182.02967486537-1.08009907232-0.6752755135050.689680201325-0.03104542997860.989478489602-0.0904606280331.57462575614-0.52233458580.2099127351251.811373162210.1366767727690.3960015192761.66031744645-0.6832368295571.27810338498-70.3184443659-77.326647189120.1867290225
335.471878220271.230022644714.225317699176.609465406060.5788009189714.14426972782-0.279147175375-0.639517098668-0.5755008421080.320885145292-0.0359460543747-0.2612485228260.567707293002-0.5454484757490.2670811398170.768347495790.002611690292930.2804521007621.35140910627-0.1368042422060.995231568117-61.4995258016-65.93789761339.6694369017
343.74280029992-0.9666989892240.1331400260412.85787561867-0.3540606613122.50760127583-0.0534385625050.4254496661811.23561852305-0.0389043689010.2268395028720.201897412973-0.184210559993-0.294167246885-0.01550750270240.311339013380.152217141245-0.1565025899840.7573050440890.2327509902770.91537569824-52.4435322896-54.1899539108-69.4672397714
351.4304022684-0.1485764808490.1241573664190.43856585150.1331417140370.0565486991197-0.281403757237-0.629187937757-0.6324725005160.9165908126620.757183935622-0.432358166622-1.041990946260.508108529805-0.2306988068542.19245670118-0.28471368598-0.2371975341111.522224764540.481036210910.961774198399-25.071774609-97.818255942835.1825753556
361.91919137413-1.81109784755-0.9442484092034.24958531632-0.02842322167551.659940288560.689469418382-0.12606769043-0.5358101592570.313991017791-0.5631888766580.0671379184793-0.2287993780391.03464905336-0.08693249413990.7857751509320.047011751455-0.2804003300260.8362519313640.1018045802330.526036171137-30.9468853628-80.31024965873.389840502
372.72623712823-0.6930516498371.193037152533.0036516023-3.842320411244.92246313412-0.8437571843230.03823434224490.333412365103-0.3666426805970.712308307667-0.0950538860919-1.941589044470.5428437571380.1063620718731.60492541624-0.246963567351-0.1454911283010.790709926424-0.07039676641860.474547143038-34.1239702845-60.17192167-28.1555718864
386.960291616463.731592347154.581724389036.444782905411.742675042814.283010789551.461027327291.32200669207-1.597314381810.6746816800110.48009644413-1.038079081361.547613114732.32094357683-1.884853808321.140818270050.138806809998-0.3732757534021.41640770564-0.08271166293461.22931903002-26.7702767459-59.5346389283-61.8784680949
390.6466613063831.20200088773-0.104893435512.24017131343-0.4069365689587.04614935396-0.2942346478520.8158856475211.10137029160.030126700606-0.07127703714380.661288506155-0.9011451779420.7761078055610.412898130150.751285639708-0.108055444657-0.3084974216081.043575804080.4052769910541.41604789206-25.9565074953-35.5134800805-76.5277305593
402.01515238953-1.733204711430.2303327291491.54415972367-0.08787690331840.245075988034-0.102095287437-0.1952821632220.331759741575-0.0205282349322-0.3478819454870.170079885033-0.481288908703-0.9734785777240.4268587878331.00048997820.0846441436813-0.3152231839141.722296943660.6558159404812.73050569881-54.7727423865-18.6071634883-84.7103630721
412.69699412638-0.0277488060352-0.6904973635492.262567514240.2477622910833.15460392434-0.085842008538-0.0779634078424-0.115405443006-0.08871909359170.008143253973780.0514661092978-0.189515050545-0.06393849626120.07043576001850.7734772882590.06478210266530.2050892804630.947046359435-0.2686748459450.586606000576-42.2188388224-31.776463076342.8052117786
423.43786859175-1.13885611936-0.9063005427554.103105005560.7405198573091.436305676740.2142769040920.1712078468710.1406499896150.106838463246-0.2340824195440.425991766989-0.678200236554-0.2256298096520.02380012237251.005968490130.07906136218470.03870588121180.869517569964-0.2018697044770.404123906536-43.2174850074-50.02961802315.25870800781
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resseq 12:126) or (chain A and resseq 1669) or (chain A and resseq 1670) or (chain A and resseq 1671) or (chain A and resseq 1672) or (chain A and resseq 1674)
2X-RAY DIFFRACTION2chain A and resseq 127:228
3X-RAY DIFFRACTION3chain A and resseq 229:349
4X-RAY DIFFRACTION4chain A and resseq 350:447
5X-RAY DIFFRACTION5(chain A and resseq 448:558) or (chain A and resseq 1667)
6X-RAY DIFFRACTION6(chain A and resseq 559:601) or (chain B and resseq 752:827)
7X-RAY DIFFRACTION7chain A and resseq 602:664
8X-RAY DIFFRACTION8chain B and resseq 828:933
9X-RAY DIFFRACTION9(chain B and resseq 1356:1371) or (chain B and resseq 1381:1496)
10X-RAY DIFFRACTION10(chain B and resseq 934:989) or (chain B and resseq 1288:1355) or (chain B and resseq 1939) or (chain B and resseq 1940)
11X-RAY DIFFRACTION11chain B and resseq 1497:1512
12X-RAY DIFFRACTION12chain B and resseq 1518:1663
13X-RAY DIFFRACTION13chain B and resseq 990:1287
14X-RAY DIFFRACTION14chain C and resseq 19:83
15X-RAY DIFFRACTION15chain C and resseq 84:144
16X-RAY DIFFRACTION16chain C and resseq 145:209
17X-RAY DIFFRACTION17chain C and resseq 210:265
18X-RAY DIFFRACTION18chain C and resseq 1107:1166
19X-RAY DIFFRACTION19chain C and resseq 1167:1230
20X-RAY DIFFRACTION20(chain D and resseq 26:295) or (chain D and resseq 302:326) or (chain D and resseq 670) or (chain D and resseq 677) or (chain D and resseq 703) or (chain D and resseq 618) or (chain D and resseq 619)
21X-RAY DIFFRACTION21(chain D and resseq 327:332) or (chain D and resseq 340:580) or (chain D and resseq 636) or (chain D and resseq 664) or (chain D and resseq 694)
22X-RAY DIFFRACTION22(chain E and resseq 12:126) or (chain E and resseq 1669) or (chain E and resseq 1670) or (chain E and resseq 1671) or (chain E and resseq 1672) or (chain E and resseq 1674)
23X-RAY DIFFRACTION23chain E and resseq 127:228
24X-RAY DIFFRACTION24chain E and resseq 229:349
25X-RAY DIFFRACTION25chain E and resseq 350:447
26X-RAY DIFFRACTION26(chain E and resseq 448:558) or (chain E and resseq 1667)
27X-RAY DIFFRACTION27(chain E and resseq 559:601) or (chain F and resseq 752:827)
28X-RAY DIFFRACTION28chain E and resseq 602:664
29X-RAY DIFFRACTION29chain F and resseq 828:933
30X-RAY DIFFRACTION30(chain F and resseq 1356:1371) or (chain F and resseq 1381:1496)
31X-RAY DIFFRACTION31(chain F and resseq 934:989) or (chain F and resseq 1288:1355) or (chain F and resseq 1939) or (chain F and resseq 1940)
32X-RAY DIFFRACTION32chain F and resseq 1497:1512
33X-RAY DIFFRACTION33chain F and resseq 1518:1663
34X-RAY DIFFRACTION34chain F and resseq 990:1287
35X-RAY DIFFRACTION35chain G and resseq 19:83
36X-RAY DIFFRACTION36chain G and resseq 84:144
37X-RAY DIFFRACTION37chain G and resseq 145:209
38X-RAY DIFFRACTION38chain G and resseq 210:265
39X-RAY DIFFRACTION39chain G and resseq 1107:1166
40X-RAY DIFFRACTION40chain G and resseq 1167:1230
41X-RAY DIFFRACTION41(chain H and resseq 26:295) or (chain H and resseq 302:326) or (chain H and resseq 670) or (chain H and resseq 677) or (chain H and resseq 703) or (chain H and resseq 618) or (chain H and resseq 619)
42X-RAY DIFFRACTION42(chain H and resseq 327:332) or (chain H and resseq 340:580) or (chain H and resseq 636) or (chain H and resseq 664) or (chain H and resseq 694) or chain M

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