PDB-7knp: Crystal structure of Acetyl-CoA synthetase in complex with adenos...

ID or keywords:

Entry

Database: PDB / ID: 7knp

Title

Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-butylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)

Components

Acetyl-coenzyme A synthetase

Keywords

LIGASE / SSGCID / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

acetate-CoA ligase / acetate-CoA ligase activity / acetyl-CoA biosynthetic process from acetate / AMP binding / ATP binding / metal ion binding / cytosol
Similarity search - Function

Biological species

Cryptococcus neoformans var. grubii serotype A (fungus)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.25 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: To Be Published
Title: Crystal structure of Acetyl-CoA synthetase in complex with adenosine-5'-butylphosphate from Cryptococcus neoformans var. grubii serotype A (H99)
Authors: Abendroth, J. / Fox III, D. / Esan, T.E. / Hagen, T.J. / Krysan, D.J. / Lorimer, D.D. / Horanyi, P.S. / Edwards, T.E.

History

Deposition	Nov 5, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 23, 2020	Provider: repository / Type: Initial release
Revision 1.1	Dec 30, 2020	Group: Database references / Category: citation / citation_author / Item: _citation.journal_abbrev
Revision 1.2	Oct 18, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7knp.cif.gz	880.1 KB	Display	PDBx/mmCIF format
PDB format	pdb7knp.ent.gz	606.9 KB	Display	PDB format
PDBx/mmJSON format	7knp.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	7knp_validation.pdf.gz	1.5 MB	Display	wwPDB validaton report
Full document	7knp_full_validation.pdf.gz	1.5 MB	Display
Data in XML	7knp_validation.xml.gz	71 KB	Display
Data in CIF	7knp_validation.cif.gz	101.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/kn/7knp ftp://data.pdbj.org/pub/pdb/validation_reports/kn/7knp	HTTPS FTP

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Related structure data

Related structure data	5ifiS S: Starting model for refinement
Similar structure data	5ifi-d 5k85-d 7kno-d 7l4g-d 5vpv-d 6jem-d 6jen-d 1ryz-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: SSGCID-CrneC.00629.a.FS11

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#78 - Jun 2006 Luciferase similarity (6)

Deposited unit

A: Acetyl-coenzyme A synthetase

B: Acetyl-coenzyme A synthetase

C: Acetyl-coenzyme A synthetase

hetero molecules

235 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	72.250, 184.660, 85.130
Angle α, β, γ (deg.)	90.000, 93.840, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

#1: Protein	Acetyl-coenzyme A synthetase Mass: 77475.750 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Cryptococcus neoformans var. grubii serotype A (strain H99 / ATCC 208821 / CBS 10515 / FGSC 9487) (fungus) Strain: H99 / ATCC 208821 / CBS 10515 / FGSC 9487 / Gene: CNAG_00797 / Plasmid: Crnec.00629.a.FS11 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: J9VFT1, acetate-CoA ligase
#2: Chemical	ChemComp-WT7 / 5'-O-[(S)-butoxy(hydroxy)phosphoryl]adenosine Mass: 403.328 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₁₄H₂₂N₅O₇P / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂H₆O₂
#4: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: PO₄
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 819 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.44 Å³/Da / Density % sol: 49.6 %
Crystal grow	Temperature: 287 K / Method: vapor diffusion, sitting drop / pH: 5.8 Details: Optimization screen around RigakuReagents Wizard screen 1/2, condition e8: 100mM potassium / sodium phosphate dibasic pH 5.8, 200mM NaCl, 12.73% (w/V) PEG 8000: CrneC.00629.a.FS11.PD00460 at ...Details: Optimization screen around RigakuReagents Wizard screen 1/2, condition e8: 100mM potassium / sodium phosphate dibasic pH 5.8, 200mM NaCl, 12.73% (w/V) PEG 8000: CrneC.00629.a.FS11.PD00460 at 10mg/ml + 1mM TCEP + 1mM butyl-AMP: tray 317934 a7: cryo: 20% EG + compounds: puck: ffb2-5

Crystal

Density Matthews: 2.44 Å³/Da / Density % sol: 49.6 %

Crystal grow

Temperature: 287 K / Method: vapor diffusion, sitting drop / pH: 5.8
Details: Optimization screen around RigakuReagents Wizard screen 1/2, condition e8: 100mM potassium / sodium phosphate dibasic pH 5.8, 200mM NaCl, 12.73% (w/V) PEG 8000: CrneC.00629.a.FS11.PD00460 at ...

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 21-ID-F / Wavelength: 0.97872 Å

Detector

Type: RAYONIX MX-300 / Detector: CCD / Date: Oct 1, 2020 / Details: Beryllium Lenses

Radiation

Monochromator: Diamond [111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97872 Å / Relative weight: 1

Reflection

Resolution: 2.25→50 Å / Num. obs: 103490 / % possible obs: 98.4 % / Redundancy: 3.863 % / B_iso Wilson estimate: 42.752 Å² / CC_1/2: 0.995 / R_merge(I) obs: 0.09 / R_rim(I) all: 0.105 / Χ²: 0.907 / Net I/σ(I): 10.14

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. unique obs	CC_1/2	R_rim(I) all	% possible all
2.25-2.31	3.909	0.547	2.6	7597	0.81	0.634	97.9
2.31-2.37	3.906	0.459	3.06	7404	0.859	0.532	97.9
2.37-2.44	3.905	0.377	3.68	7201	0.898	0.437	98.1
2.44-2.52	3.903	0.312	4.38	7021	0.928	0.361	98.1
2.52-2.6	3.901	0.276	4.88	6818	0.94	0.32	98.3
2.6-2.69	3.897	0.232	5.74	6593	0.956	0.27	98.3
2.69-2.79	3.894	0.189	6.76	6386	0.971	0.219	98.4
2.79-2.9	3.883	0.155	8.1	6108	0.977	0.18	98.5
2.9-3.03	3.871	0.13	9.35	5909	0.983	0.151	98.5
3.03-3.18	3.861	0.101	11.61	5594	0.988	0.118	98.7
3.18-3.35	3.847	0.083	13.68	5354	0.99	0.096	98.6
3.35-3.56	3.828	0.072	15.32	5096	0.991	0.084	98.7
3.56-3.8	3.83	0.066	16.88	4765	0.993	0.076	98.7
3.8-4.11	3.817	0.061	18.41	4431	0.993	0.071	98.6
4.11-4.5	3.805	0.057	19.67	4107	0.993	0.066	98.7
4.5-5.03	3.801	0.056	20.32	3676	0.993	0.065	98.9
5.03-5.81	3.796	0.057	20.14	3287	0.993	0.066	99.2
5.81-7.12	3.787	0.057	20.15	2810	0.993	0.066	99.4
7.12-10.06	3.759	0.057	22	2145	0.993	0.066	99.1
10.06-50	3.609	0.057	22.33	1188	0.993	0.067	97.6

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Processing

Software

Name	Version	Classification
XDS		data reduction
XSCALE		data scaling
PHENIX	1.19rc4	refinement
PDB_EXTRACT	3.27	data extraction
PHASER		phasing
PHENIX		model building
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: pdb entry 5ifi

5ifi

Resolution: 2.25→40.26 Å / SU ML: 0.2725 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 22.656
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2128	2160	2.09 %	0
R_work	0.1756	101290	-	-
obs	0.1764	103450	98.44 %	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 53.29 Å²

Refinement step

Cycle: LAST / Resolution: 2.25→40.26 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13942	0	139	819	14900

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0069	14519
X-RAY DIFFRACTION	f_angle_d	0.8231	19819
X-RAY DIFFRACTION	f_chiral_restr	0.0531	2141
X-RAY DIFFRACTION	f_plane_restr	0.0088	2562
X-RAY DIFFRACTION	f_dihedral_angle_d	13.8637	5123

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.25-2.3	0.2568	148	0.235	6700	X-RAY DIFFRACTION	98
2.3-2.36	0.2889	138	0.2299	6679	X-RAY DIFFRACTION	97.95
2.36-2.42	0.2602	163	0.2223	6677	X-RAY DIFFRACTION	97.94
2.42-2.5	0.2456	130	0.2121	6764	X-RAY DIFFRACTION	98.12
2.5-2.58	0.277	146	0.2081	6738	X-RAY DIFFRACTION	98.26
2.58-2.67	0.2555	141	0.2002	6704	X-RAY DIFFRACTION	98.32
2.67-2.77	0.2597	148	0.2011	6729	X-RAY DIFFRACTION	98.31
2.77-2.9	0.2451	142	0.1996	6763	X-RAY DIFFRACTION	98.54
2.9-3.05	0.2326	164	0.2008	6724	X-RAY DIFFRACTION	98.61
3.05-3.24	0.2735	143	0.1882	6753	X-RAY DIFFRACTION	98.63
3.24-3.5	0.2037	113	0.1763	6811	X-RAY DIFFRACTION	98.76
3.5-3.85	0.2152	136	0.1694	6805	X-RAY DIFFRACTION	98.61
3.85-4.4	0.1737	163	0.1405	6734	X-RAY DIFFRACTION	98.61
4.4-5.54	0.1687	131	0.1386	6844	X-RAY DIFFRACTION	98.98
5.54-40.26	0.1633	154	0.16	6865	X-RAY DIFFRACTION	98.91

Refinement TLS params.

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

ID	L11 (°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)
1	1.40579104374	0.0979864371358	0.0955090153501	1.36240159701	-0.367349932138	0.84713941131	0.242997774027	0.0810749670234	-0.238352694384	-0.518803231464	0.23133653134	1.0788488165	0.20261003637	-0.422933872724	-0.0528564639397	0.279418946399	-0.0312048835185	-0.210235797561	0.521396685758	0.214579430677	1.05391090028	-33.7268937451	6.89541131491	-16.9453513197
2	1.47763627243	-0.744065860348	0.48676453479	2.35036350811	-1.07355502404	1.03870731574	0.135300302604	-0.00467919708344	-0.242071512383	-0.140853865832	0.0609580520838	0.42546042288	0.177461528943	-0.0200344752332	-0.150797401564	0.177101163266	0.000242838495815	0.00208358211757	0.293996410091	-0.00275979689484	0.246147698223	-7.09299327356	-4.42467096418	-5.67220493573
3	0.611555438533	-0.717796558745	0.127783438935	1.41837259347	-0.539234104269	0.324545974961	0.370889094594	0.404956351173	-0.019477038619	-0.834705305603	-0.374911872064	-0.0153803632813	0.424757620671	0.307274622692	0.00331929477341	0.582492252625	0.198751456111	0.0606691286233	0.554384728961	-0.0315599801994	0.218108808924	4.7149136102	-8.10150477192	-18.1363847317
4	0.898049866686	-0.205902480025	0.432054754619	0.921950760111	-0.428040175149	0.358710333251	0.442861389321	0.205509678574	-0.62532684082	-0.826119620193	0.139074197469	1.14293752624	0.55334016312	-0.127661155832	-0.0912314829795	0.509893985717	-0.0393505624796	-0.407279063262	0.423408652199	-0.00688465380343	0.767424361189	-22.1947299594	-5.53122479092	-21.0096375649
5	1.16294322034	-0.653043148608	0.76292486406	2.49769331375	-1.01313877285	1.69246792455	0.0703761082425	0.0405838174162	0.0414284572683	-0.267003149672	-0.0171795655779	0.259401863054	-0.0150384358254	0.0600864530678	-0.160150300084	0.199481201857	0.00219671490404	0.0162639615378	0.324529116506	0.0113286553353	0.287266278084	-13.493021136	18.8837564489	-19.7933638013
6	3.35470405047	0.193514653978	0.919123021382	2.5440993292	1.7892319091	3.46868846612	0.055562682849	0.62959028113	-0.115816547284	-1.19834116743	0.176053643136	0.693821059085	-0.0892495911388	-0.0444694867179	-0.119339829592	0.737821863728	-0.0473613356853	-0.299678182798	0.480144840314	0.0664953974979	0.605745997942	-22.5428501754	11.8737124008	-36.2491950023
7	2.294989102	0.461245343719	1.03530640331	0.433941291883	1.05030560804	3.20707611314	-0.0188216916798	0.446959425739	-0.280640131172	-1.00608732094	0.158245390842	0.565393372928	-0.113296822762	0.0931985080143	-0.139981059981	1.48869964519	-0.0551987753302	-0.609958935938	0.669897916764	-0.0167723110036	0.93391912946	-23.4968486781	4.1344333731	-50.2011224479
8	7.97644000005	0.295473626617	1.45034360437	2.94767028143	0.800777291723	1.31088787101	0.0766461069844	0.253520125637	-0.268164635339	-0.744408654276	0.102554240371	0.0815697484961	0.230046634236	-0.149240685048	-0.130352122573	1.04429790602	0.00494608016179	-0.302714557164	0.758929676631	0.00183598433411	0.5473604753	-12.240918551	5.096266067	-44.7326253221
9	0.530088522613	-0.60769555043	-0.0837235809393	0.747887950126	0.152106036764	0.752858086743	-0.091732796938	-0.330491696867	-0.221722191238	0.940260480735	0.474857281679	0.566873231062	-0.0352927905308	-0.253356322768	0.420930925174	1.04308173562	0.375490813466	0.515043384625	0.668109764629	0.294264281607	0.499965904219	-1.03652815361	-30.0898789589	36.6141854777
10	1.56424160552	-0.52766024107	0.719315936556	2.49909784591	-0.681655134812	1.21552796606	-0.194436415365	-0.0291800439693	0.218081746913	0.663707544319	0.0376729905421	-0.46658796015	-0.194790976404	0.197200699599	0.107913388304	0.432522497471	0.0413167812276	-0.0897297354436	0.339949907911	-0.0092658446343	0.260005950217	19.5943553462	-9.19567649623	16.2527493822
11	0.269892891866	-0.0388089761149	0.137072500281	1.27078868029	-0.410990774871	0.329451106567	-0.333527289193	-0.112456186823	-0.0255410766909	1.31366251017	0.251902211122	-0.278928707798	-0.382105867203	-0.0765442408202	-0.0352603780744	0.944237399661	0.189719731735	-0.0622152923096	0.434463156958	-0.00411021747284	0.186624617574	16.2461488628	-22.5019109244	30.9050694961
12	0.660809912926	-0.853818833991	0.332226653113	1.42889009369	-0.520582935637	3.91747401001	-0.00095255426572	-0.195063006257	-0.367574862007	0.38369540799	0.330006026506	0.75544534227	0.0984243591624	-0.267499831274	-0.240543590323	0.388084877476	0.0595277099658	0.153834772066	0.326800024018	0.0901132800934	0.396892452697	1.67303837234	-30.5651903099	17.5806739838
13	2.44755199328	-0.41671052009	-0.306832212352	4.8634738423	-0.329897638184	2.39451739971	0.0791641489739	0.0563302659926	-0.0404579900483	0.448642303873	0.168051533625	-0.0908647801069	-0.311277217009	0.0172457010239	-0.177293057119	0.349366770389	0.0152759218276	0.0171726804039	0.258670937308	0.0189565493714	0.232310145622	15.3817492333	-48.7347559448	26.3735761056
14	1.9243226917	3.38940529145	-1.60654303377	7.02946231849	-3.89601317752	2.68826094161	-0.0042576437541	0.361098359799	0.00706960417764	-0.237613535896	-0.219625819751	-1.06714505084	-0.529318021681	0.425675387999	0.206658672718	0.505837647869	-0.0428201452242	0.0863702320083	0.478231995087	-0.00772352461021	0.601122795235	27.6032667524	-44.9303743064	19.2969396004
15	0.339872253369	-0.00108464681623	0.214617032597	0.77580767179	0.48194952501	0.6466508091	-0.256180515228	-0.0567779431602	0.54734936766	-0.116105163559	-0.0891078774675	0.159113764765	-0.656625220753	-0.249024048141	0.548887250081	1.780532866	0.438174443131	-0.632591319941	0.783214728587	-0.41809346461	1.00915338539	3.54962277869	39.5091493119	27.2495361119
16	1.67607531827	-0.733472063194	0.138216122049	1.97948072418	-0.0983718453644	0.499057706703	-0.316407704337	0.219410775141	0.6630209065	0.699207156612	-0.148096966792	-0.908473788175	-0.362166926766	0.0784874604139	0.176998688427	0.30650503775	-0.0617747659368	-0.198602912564	0.364259533254	0.130581969301	0.663227544517	13.9806112194	21.4283960775	0.977127618467
17	1.13260790469	1.4010242324	0.384829587117	1.90350162307	-0.0630626910266	1.96822660559	-0.248347176158	-0.12365439963	0.489773020906	0.627505439524	-0.175743394175	-0.532540365027	-0.516572055647	0.32909658686	0.200506409256	0.638045675474	-0.00268362221112	-0.321791510212	0.378191297887	-0.0111488924349	0.6198864819	15.8691556833	21.0991240091	13.8861619564
18	0.583397248515	0.323607417113	0.30530224076	0.307315654069	0.0196278572472	0.409925482206	-0.326766037163	-0.00615786712694	1.16276994234	0.689802784763	-0.14957661265	-0.627937841988	-0.925396311394	-0.000152812461649	0.220614814658	0.878879326197	-0.0352128874093	-0.443399977073	0.372436794379	0.0300809892228	1.0978204688	11.9572621503	38.6852910532	6.90133498551
19	3.58098548954	-0.329415383833	0.930264584647	0.204041974831	0.206708309665	0.713664122069	-0.107645360072	-0.0286437824152	0.556008884677	0.388641352063	-0.0130859665458	-0.509771920455	-0.554608013684	0.249213756089	0.0900757119629	1.58453885651	-0.105321046996	-0.81453251766	0.433027118472	-0.0789331586696	1.61556877989	17.6746885111	49.4480740764	14.1375359436
20	0.721627265448	0.0973535119104	-0.652166869893	0.015664556936	-0.084958466892	0.598790745281	0.0506632767692	-0.3991199784	0.348087614063	0.131514319719	0.0731019046189	0.0732657187919	-0.569541024862	0.0409960855898	0.404223049411	1.51647934557	0.0352543942097	-0.927210893358	0.53588663328	-0.292324344193	1.28846955427	15.0628469987	38.2111811378	22.3532097789
21	0.296907595178	-0.262220577603	-0.136500802655	0.522243456803	0.144395768505	0.454263187208	-0.211046016122	-0.515978797301	0.443736116067	0.695977708204	0.0341460047613	-0.48422169708	-0.396970863559	0.0872115889983	-0.118490057638	1.38886268617	-0.013396396048	-0.787706905026	0.557140172105	-0.340095224515	1.02721522569	21.9996287005	24.4915243821	28.7319020644
22	0.226705600441	0.111819538003	0.0770457444926	0.167799814357	-0.187639021244	0.462634600232	0.122899407161	-0.633963672003	0.257602599763	0.488877816264	0.0188224578479	-0.178048560745	-0.292278372478	-0.124020885309	0.859646263141	1.256556979	-0.0575739838251	-1.05827435746	0.692308339764	-0.260202932711	1.18194216067	26.5432478053	25.0646955266	27.8539881595

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 10 through 63 )	A	A	10 - 63	1 - 54
2	2	chain 'A' and (resid 64 through 182 )	A	A	64 - 182	55 - 173
3	3	chain 'A' and (resid 183 through 303 )	A	A	183 - 303	174 - 292
4	4	chain 'A' and (resid 304 through 463 )	A	A	304 - 463	293 - 452
5	5	chain 'A' and (resid 464 through 526 )	A	A	464 - 526	453 - 515
6	6	chain 'A' and (resid 527 through 579 )	A	A	527 - 579	516 - 568
7	7	chain 'A' and (resid 580 through 617 )	A	A	580 - 617	569 - 606
8	8	chain 'A' and (resid 618 through 676 )	A	A	618 - 676	607 - 653
9	9	chain 'B' and (resid 10 through 63 )	B	H	10 - 63	1 - 54
10	10	chain 'B' and (resid 64 through 278 )	B	H	64 - 278	55 - 269
11	11	chain 'B' and (resid 279 through 432 )	B	H	279 - 432	270 - 419
12	12	chain 'B' and (resid 433 through 526 )	B	H	433 - 526	420 - 513
13	13	chain 'B' and (resid 527 through 617 )	B	H	527 - 617	514 - 601
14	14	chain 'B' and (resid 618 through 678 )	B	H	618 - 678	602 - 658
15	15	chain 'C' and (resid 26 through 58 )	C	P	26 - 58	1 - 33
16	16	chain 'C' and (resid 59 through 278 )	C	P	59 - 278	34 - 253
17	17	chain 'C' and (resid 279 through 317 )	C	P	279 - 317	254 - 288
18	18	chain 'C' and (resid 318 through 382 )	C	P	318 - 382	289 - 353
19	19	chain 'C' and (resid 383 through 426 )	C	P	383 - 426	354 - 397
20	20	chain 'C' and (resid 427 through 461 )	C	P	427 - 461	398 - 432
21	21	chain 'C' and (resid 462 through 507 )	C	P	462 - 507	433 - 478
22	22	chain 'C' and (resid 508 through 540 )	C	P	508 - 540	479 - 511

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