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4QBB

Structure of the foot-and-mouth disease virus leader proteinase in complex with inhibitor (N~2~-[(3S)-4-({(2R)-1-[(4-CARBAMIMIDAMIDOBUTYL)AMINO]-4-METHYL-1-OXOPENTAN-2-YL}AMINO)-3-HYDROXY-4-OXOBUTANOYL]-L-ARGINYL-L-PROLINAMIDE)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004197molecular_functioncysteine-type endopeptidase activity
A0016032biological_processviral process
A0019082biological_processviral protein processing
B0004197molecular_functioncysteine-type endopeptidase activity
B0016032biological_processviral process
B0019082biological_processviral protein processing
C0004197molecular_functioncysteine-type endopeptidase activity
C0016032biological_processviral process
C0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 201
ChainResidue
ALYS108
ALEU111
ATHR113
AHOH339
AHOH340
AHOH413

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE E69 A 202
ChainResidue
ACYS51
ATRP52
AGLU96
AGLY97
AGLY98
ALEU143
AGLU147
AHIS148
AALA149
AASP163
AASP164
AHOH403
AHOH414
AASN46
AASP49
AASN50

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE E69 B 201
ChainResidue
BASN46
BASP49
BASN50
BCYS51
BTRP52
BGLU96
BGLY97
BGLY98
BGLN146
BGLU147
BHIS148
BHOH356
BHOH360
CSER119
CARG120
CHOH328

site_idAC4
Number of Residues16
DetailsBINDING SITE FOR RESIDUE E69 C 201
ChainResidue
BSER119
BARG120
BTHR130
BHOH370
CASN46
CASP49
CASN50
CCYS51
CTRP52
CGLU96
CGLY97
CGLY98
CLEU143
CGLN146
CGLU147
CHIS148

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 C 202
ChainResidue
CTYR42
CARG61
CSER73
CHOH367
CHOH397

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues9
DetailsACT_SITE: For leader protease activity
ChainResidueDetails
ACYS51
AHIS148
AASP163
BCYS51
BHIS148
BASP163
CCYS51
CHIS148
CASP163

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 746
ChainResidueDetails
AASN46electrostatic stabiliser, polar interaction
ACYS51electrostatic stabiliser, polar interaction
AHIS148hydrogen bond acceptor, proton acceptor, proton donor
AASP163electrostatic stabiliser, hydrogen bond donor

site_idMCSA2
Number of Residues4
DetailsM-CSA 746
ChainResidueDetails
BASN46electrostatic stabiliser, polar interaction
BCYS51electrostatic stabiliser, polar interaction
BHIS148hydrogen bond acceptor, proton acceptor, proton donor
BASP163electrostatic stabiliser, hydrogen bond donor

site_idMCSA3
Number of Residues4
DetailsM-CSA 746
ChainResidueDetails
CASN46electrostatic stabiliser, polar interaction
CCYS51electrostatic stabiliser, polar interaction
CHIS148hydrogen bond acceptor, proton acceptor, proton donor
CASP163electrostatic stabiliser, hydrogen bond donor

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PDB entries from 2024-07-17

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