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2QAA

Crystal structure of the second tetrahedral intermediates of SGPB at pH 7.3

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
B0004252molecular_functionserine-type endopeptidase activity
B0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 912
ChainResidue
ATHR163
AARG182
ATHR183
AASN184
ATHR225
AHOH1078
AHOH1136

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 913
ChainResidue
AEDO921
AHOH1025
AHOH1230
AARG139
ATHR157

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL A 941
ChainResidue
AGLY48
AEDO923

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 945
ChainResidue
AARG41
AACY931
AHOH1203

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL A 950
ChainResidue
ALYS115
AHOH1132
AHOH1213
AHOH1214

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CL A 957
ChainResidue
ATHR207
AACY933
AHOH1238
AHOH1239
BASN101
BHOH1186

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 911
ChainResidue
BTHR163
BARG182
BTHR183
BASN184
BTHR225
BHOH1072
BHOH1081

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 914
ChainResidue
AHOH978
BASN170
BGLY172
BGLY173
BHOH959
BHOH1181
BHOH1195

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 B 915
ChainResidue
AGLY174
AHOH975
BARG139
BGLY156
BTHR157
BGOL904
BHOH1116
BHOH1125
BHOH1197

site_idBC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 942
ChainResidue
BSER79
BARG81

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 943
ChainResidue
BARG41
BHOH1050

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 944
ChainResidue
BARG208
BHOH1006

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CL B 946
ChainResidue
ATHR39
BTHR64
BTHR65
BHOH1170

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 952
ChainResidue
BHIS158
BCYS220

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL B 954
ChainResidue
BSER89
BTYR237

site_idBC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE TYR A 1
ChainResidue
AHIS57
AALA192
AGLU192
APRO192
AGLY193
ASER195
AGLY216
ASER217
AGLY218
AGOL901
AHOH1046
AHOH1146
AHOH1165
AHOH1208
AHOH1232
AHOH1235

site_idBC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE LEU A 2
ChainResidue
AHIS57
AGLU192
APRO192
AGLY193
ASER195
ATHR213
ASER214
AGLY215
AGOL901
AHOH1208
AHOH1232
AHOH1235

site_idBC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 921
ChainResidue
AHOH997
AGLY19
AASP29
AARG139
AGLY140
ASER141
AGLY156
ASO4913

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 922
ChainResidue
ASER33
ATHR39
AGLY40
ACYS42
ACYS58

site_idCC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 923
ChainResidue
AARG48
ATHR125
ASER240
AVAL241
ATYR242
ACL941

site_idCC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE EPE A 961
ChainResidue
ATHR87
AARG107
AHOH979
BSER126
BALA127
BLEU235
BSER240
BVAL241
BACY932
BHOH966
BHOH1087

site_idCC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE TYR B 1
ChainResidue
BHIS57
BALA192
BGLU192
BPRO192
BGLY193
BSER195
BSER214
BGLY215
BGLY216
BSER217
BGLY218
BGOL902
BHOH1013
BHOH1176
BHOH1177
BHOH1178
BHOH1192

site_idCC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE LEU B 2
ChainResidue
BHIS57
BGLU192
BPRO192
BGLY193
BSER195
BTHR213
BSER214
BGLY215
BGOL902
BHOH1178
BHOH1192

site_idCC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 924
ChainResidue
BALA135
BVAL136
BTHR137
BGLY202

site_idCC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 901
ChainResidue
ATYR1
ALEU2
AHIS57
ATYR171
ASER214
AGLY215
AHOH1194

site_idCC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACY A 931
ChainResidue
ASER79
AARG81
ACL945
AHOH1090
BHOH1009

site_idCC9
Number of Residues11
DetailsBINDING SITE FOR RESIDUE ACY A 933
ChainResidue
ASER48
AGLN122
AGLY202
ATHR207
ACL957
AHOH1105
AHOH1113
BASN101
BGLU233
BHOH1004
BHOH1145

site_idDC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 902
ChainResidue
BTYR1
BLEU2
BTYR171
BSER214
BGLY215
BHOH1144
BHOH1163
BHOH1178

site_idDC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL B 903
ChainResidue
ASER48
AGLY238
AHOH970
AHOH983
BASN166
BGLY179
BMET180
BPRO230
BHOH960
BHOH1030

site_idDC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 904
ChainResidue
AASN100
AGLY174
ATYR178
AHOH1218
BGLY156
BTHR157
BSO4915
BHOH1101

site_idDC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACY B 932
ChainResidue
AEPE961
BARG48
BSER240
BHOH1070
BHOH1127
BHOH1175

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAGHC
ChainResidueDetails
ALEU53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. CAepGDSGGPLY
ChainResidueDetails
ACYS191-TYR200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: Charge relay system
ChainResidueDetails
AHIS57
AASP102
ASER195
BHIS57
BASP102
BSER195

Catalytic Information from CSA
site_idCSA1
Number of Residues5
DetailsAnnotated By Reference To The Literature 1ssx
ChainResidueDetails
AASP102
ASER195
AGLY193
AHIS57
ASER214

site_idCSA2
Number of Residues5
DetailsAnnotated By Reference To The Literature 1ssx
ChainResidueDetails
BASP102
BSER195
BGLY193
BHIS57
BSER214

site_idCSA3
Number of Residues4
DetailsAnnotated By Reference To The Literature 1ssx
ChainResidueDetails
AASP102
ASER195
AGLY193
AHIS57

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1ssx
ChainResidueDetails
BASP102
BSER195
BGLY193
BHIS57

site_idMCSA1
Number of Residues5
DetailsM-CSA 608
ChainResidueDetails
AHIS57proton acceptor, proton donor
AASP102electrostatic stabiliser
AGLY193electrostatic stabiliser
ASER195nucleofuge, nucleophile, proton acceptor, proton donor
ASER214electrostatic stabiliser

site_idMCSA2
Number of Residues5
DetailsM-CSA 608
ChainResidueDetails
BHIS57proton acceptor, proton donor
BASP102electrostatic stabiliser
BGLY193electrostatic stabiliser
BSER195nucleofuge, nucleophile, proton acceptor, proton donor
BSER214electrostatic stabiliser

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PDB entries from 2024-07-10

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