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2H9E

Crystal Structure of FXa/selectide/NAPC2 ternary complex

Functional Information from GO Data
ChainGOidnamespacecontents
C0004867molecular_functionserine-type endopeptidase inhibitor activity
C0005576cellular_componentextracellular region
C0010466biological_processnegative regulation of peptidase activity
H0004252molecular_functionserine-type endopeptidase activity
H0006508biological_processproteolysis
L0005509molecular_functioncalcium ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 H 601
ChainResidue
HTYR184
HASP185
HTHR185
HLYS186
HHOH743
LHOH209

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE PO4 H 602
ChainResidue
HARG115
HMET116
LTYR130

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 H 603
ChainResidue
HGLY78
HGLY79
HARG115
HARG149

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PO4 H 604
ChainResidue
HGLN20
HGLU21

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PO4 H 605
ChainResidue
HARG125
HLYS236

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 H 606
ChainResidue
HGLN187
HARG222
HLYS223
HHOH797
HHOH861

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT H 701
ChainResidue
HTHR144
HLYS155

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT H 702
ChainResidue
HARG202
HLYS204
HASP205
HHOH745

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT H 703
ChainResidue
HARG164
HLYS168
HGLN177

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA H 501
ChainResidue
HTYR184
HLYS186
HARG222
HLYS224
HHOH732

site_idBC2
Number of Residues24
DetailsBINDING SITE FOR CHAIN S OF SELECTIDE INHIBITOR DTY-ILE-ARG-LEU-LPD PEPTIDE
ChainResidue
HHIS57
HGLU97
HTHR98
HTHR113
HPHE173
HALA190
HGLN192
HSER195
HVAL213
HSER214
HTRP215
HGLY216
HGLU217
HARG222
HGLY226
HHOH752
HHOH754
HHOH867
SHOH6
SHOH7
SHOH8
SHOH10
SHOH13
SHOH14

Functional Information from PROSITE/UniProt
site_idPS00010
Number of Residues12
DetailsASX_HYDROXYL Aspartic acid and asparagine hydroxylation site. CkDglgeYtCtC
ChainResidueDetails
LCYS61-CYS72

site_idPS00022
Number of Residues12
DetailsEGF_1 EGF-like domain signature 1. CtCleGfeGKnC
ChainResidueDetails
LCYS70-CYS81

site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
HLEU53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAcqGDSGGPHV
ChainResidueDetails
HASP189-VAL200

site_idPS01186
Number of Residues15
DetailsEGF_2 EGF-like domain signature 2. CvCeeGFyrnkddk.C
ChainResidueDetails
CCYS50-CYS64
LCYS70-CYS81
LCYS109-CYS124

site_idPS01187
Number of Residues25
DetailsEGF_CA Calcium-binding EGF-like domain signature. DgDQCetsp..........Cqnqgk..CkDglgeYtC
ChainResidueDetails
LASP46-CYS70

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsMOD_RES: (3R)-3-hydroxyaspartate => ECO:0000269|PubMed:6871167
ChainResidueDetails
LASP63
HASP102
HSER195

site_idSWS_FT_FI2
Number of Residues2
DetailsCARBOHYD: O-linked (GalNAc...) threonine => ECO:0000269|PubMed:8243461
ChainResidueDetails
LTHR159
LTHR171

site_idSWS_FT_FI3
Number of Residues2
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:8243461
ChainResidueDetails
LASN181
LASN191

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HSER195
HGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HSER195
HGLY193

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HSER195
HHIS57

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HSER195
HASP100
HGLY193
HHIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HSER195
HHIS57
HGLY196

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HSER195
HGLY193
HHIS57

224004

PDB entries from 2024-08-21

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