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2H5D

0.9A resolution crystal structure of alpha-lytic protease complexed with a transition state analogue, MeOSuc-Ala-Ala-Pro-Val boronic acid

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE SO4 A 246
ChainResidue
AALA15
AHOH398
AHOH407
AASN15
AARG230
APRO233
AHOH309
AHOH334
AHOH339
AHOH374
AHOH379

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 208
ChainResidue
AALA169
AASN170
BMSU199
BALA200
BHOH409
BHOH602
BHOH711

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 247
ChainResidue
AARG90
AHOH318
AHOH372
AHOH377
AHOH480
AHOH603

site_idAC4
Number of Residues15
DetailsBINDING SITE FOR RESIDUE SO4 A 248
ChainResidue
ALEU41
ATHR125
AARG141
ASO4249
AHOH324
AHOH357
AHOH566
AHOH593
AHOH616
AHOH617
AHOH623
AHOH640
AHOH649
AHOH705
AHOH719

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE SO4 A 249
ChainResidue
ASER120
AGLY123
ASER124
ATHR125
AARG192
ASO4248
AHOH332
AHOH343
AHOH357
AHOH578
AHOH616
AHOH625
AHOH641
AHOH649

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 250
ChainResidue
ATHR168
AARG178
AHOH415
AHOH513
AHOH646
AHOH650
AHOH706

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE SO4 A 251
ChainResidue
AALA48
ATHR49
ASER110
AALA176
AARG178
AHOH323
AHOH344
AHOH361
AHOH463
AHOH599
AHOH613
AHOH658
AHOH707

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 252
ChainResidue
AALA131
AVAL132
ALYS165
AHOH472
AHOH533
AHOH591
AHOH609
AHOH670

site_idAC9
Number of Residues16
DetailsBINDING SITE FOR RESIDUE GOL B 204
ChainResidue
ALEU41
ACYS42
AHIS57
AGLY193
ASER195
AGLN208
AHOH393
AHOH520
AHOH582
AHOH642
BPRO202
BB2V203
BHOH378
BHOH519
BHOH589
BHOH654

site_idBC1
Number of Residues29
DetailsBINDING SITE FOR CHAIN B OF MEOSUC-ALA-ALA-PRO-ALA BORONIC ACID INHIBITOR
ChainResidue
ATYR171
AGLY191
AGLY193
AASP194
ASER195
AMET213
ASER214
AGLY215
AGLY216
AASN217
AVAL218
AGLN219
AGLY245
AHOH382
AHOH572
AHOH585
AHOH587
AHOH642
AHOH688
AHOH715
AHOH730
BGOL204
BSO4208
BHOH483
BHOH654
BHOH695
BHOH711
AHIS57
AARG122

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VTAGHC
ChainResidueDetails
AVAL53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. CMgrGDSGGSWI
ChainResidueDetails
ACYS189-ILE200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system => ECO:0000250
ChainResidueDetails
AHIS57
AASP102
ASER195

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

site_idMCSA1
Number of Residues5
DetailsM-CSA 609
ChainResidueDetails
AHIS57proton acceptor, proton donor
AASP102electrostatic stabiliser
AGLY193electrostatic stabiliser
ASER195electrostatic stabiliser
ASER214electrostatic stabiliser

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PDB entries from 2024-07-31

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