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1V5I

Crystal structure of serine protease inhibitor POIA1 in complex with subtilisin BPN'

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
A0008236molecular_functionserine-type peptidase activity
B0004867molecular_functionserine-type endopeptidase inhibitor activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1001
ChainResidue
APRO5
ATYR6
AHOH3138
AHOH3158
AHOH3208
AHOH3257

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 1002
ChainResidue
BHOH2046
BHOH2065
BHOH2067
BHOH2076
BHOH2092
AASN109
BASN34
BGLU35

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 3001
ChainResidue
AGLN2
AASP41
ALEU75
AASN77
AILE79
AVAL81

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 2001
ChainResidue
AASN62
ASER63
AHIS64
ATYR217
AGLN245
ASER249
AGLN275
AHOH3173
AHOH3254

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 2002
ChainResidue
AGOL2018
BLYS17
BTHR21
BGLU24
BLYS55
BLEU63

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 2003
ChainResidue
AGOL2010
BGLU24
BGLU28
BGLN51
BSER52
BLYS55
BHOH2051

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL B 2004
ChainResidue
BLYS10
BASN11

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 2005
ChainResidue
AASP181
AALA187
ASER188
AVAL203
AHOH3290

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 2006
ChainResidue
APRO129
ASER130
AHOH3027
BHIS71
BVAL72

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 2007
ChainResidue
ATYR6
AASP181
ASER182
AHOH3282

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 2008
ChainResidue
AASN118
AMET119
AGLY146
AHOH3190
AHOH3271
AHOH3272

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 2009
ChainResidue
AALA48
ATRP113
AHOH3023
AHOH3137

site_idBC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 2010
ChainResidue
ASER38
APRO40
AGOL2003
AGOL2018
AHOH3167
BGLU24
BGLU28
BLYS55
BHOH2078

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 2011
ChainResidue
AALA1
AGLY80
ATYR214
AHOH3191

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 2012
ChainResidue
ALYS141
AALA144
AHOH3141
AHOH3224
AHOH3237
AHOH3292
AHOH3293

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 2013
ChainResidue
APRO172
ASER173
AHOH3088
AHOH3276

site_idBC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 2014
ChainResidue
BSER14
BLYS17
BHOH2100

site_idBC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 2016
ChainResidue
AASN243
AHOH3018
AHOH3219
AHOH3294
AVAL143
AALA144
ASER145
AGLY146

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 2018
ChainResidue
ASER38
APRO40
AGOL2010
AHOH3010
AHOH3242
AHOH3281
AHOH3318
BGOL2002

Functional Information from PROSITE/UniProt
site_idPS00136
Number of Residues12
DetailsSUBTILASE_ASP Serine proteases, subtilase family, aspartic acid active site. VAVIDSGIdssH
ChainResidueDetails
AVAL28-HIS39

site_idPS00137
Number of Residues11
DetailsSUBTILASE_HIS Serine proteases, subtilase family, histidine active site. HGThVAGtVAA
ChainResidueDetails
AHIS64-ALA74

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsMOD_RES: N-acetylserine => ECO:0000269|PubMed:7840656
ChainResidueDetails
BSER1
AHIS64
ACSD221

site_idSWS_FT_FI2
Number of Residues9
DetailsBINDING:
ChainResidueDetails
AGLN2
AASP41
ALEU75
AASN77
AILE79
AVAL81
AGLY169
ATYR171
AVAL174

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 723
ChainResidueDetails
AASP32electrostatic interaction, electrostatic stabiliser
AHIS64proton acceptor, proton donor
AASN155electrostatic interaction, electrostatic stabiliser
ACSD221nucleofuge, nucleophile, proton acceptor, proton donor

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PDB entries from 2024-07-17

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