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3QGJ

1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
C0004252molecular_functionserine-type endopeptidase activity
C0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1
ChainResidue
ATHR54
ASER69
ALEU70
ATHR71
AHOH398
CARG90
CGLN154

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 200
ChainResidue
AGLY135
AASN136
AALA175
ASER176
AARG178
CTHR116
ATHR116
AGLN134

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE EDO A 201
ChainResidue
ATHR116
AHOH346
CTHR116
CGLN134
CGLY135
CASN136
CALA175
CSER176
CARG178

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 202
ChainResidue
AARG26
ATHR121
AARG130
AHOH352
CARG130
CHOH318

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 203
ChainResidue
APRO174
AALA175
ASER176
AHOH399

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 204
ChainResidue
AASN13
ATHR44
AARG46
AHOH396

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE SO4 A 205
ChainResidue
AASN63
AASN63
AARG65
AARG65
APRO187
APRO187
AHOH355
AHOH355
AHOH487
AHOH487
AHOH509
AHOH509

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE TFA A 206
ChainResidue
AASN14
AARG46
AGLY49
AHOH401
AHOH434
CASN167
CASN169

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE TFA A 207
ChainResidue
AARG79
APHE86
AHOH400
AHOH410
AHOH418
AHOH499

site_idBC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE TFA A 208
ChainResidue
AARG26
AGLY127
AALA128
AARG130
AHOH301
AHOH397
AHOH496
CARG79
CTHR88
CARG90
CHOH373

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO C 200
ChainResidue
AASN119
CASN123
CHOH510
DALA2

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO C 201
ChainResidue
CARG65
CARG130
CHOH381
CHOH474

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 C 202
ChainResidue
CASN136
CALA137
CCYS138
CPRO174
CALA175
CARG178
CHOH319

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 C 203
ChainResidue
CHIS37
CARG58
CPHE60

site_idBC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 C 204
ChainResidue
CHOH520
DPRO4
CASN13
CASN14
CHIS37
CGLU126
CARG141
CHOH334
CHOH426

site_idBC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TFA C 205
ChainResidue
CSER84
CGLU94
CLYS118
CARG184
CHOH312
CHOH335
CHOH400
CHOH450

site_idBC8
Number of Residues14
DetailsBINDING SITE FOR CHAIN B OF AC-ALAALAPRO-ALANAL PEPTIDE
ChainResidue
AHIS37
ATYR124
AGLU126
AGLY140
AARG141
AGLY142
AASP143
ASER144
ASER160
AGLY161
AGLY162
AASN163
BHOH108
CHOH320

site_idBC9
Number of Residues17
DetailsBINDING SITE FOR CHAIN D OF AC-ALAALAPRO-ALANAL PEPTIDE
ChainResidue
CHIS37
CTYR124
CGLU126
CGLY140
CARG141
CGLY142
CASP143
CSER144
CSER160
CGLY161
CGLY162
CASN163
CVAL164
CEDO200
CSO4204
CHOH366
CHOH426

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VTAGHC
ChainResidueDetails
AVAL33-CYS38

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. CMgrGDSGGSWI
ChainResidueDetails
ACYS138-ILE149

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues6
DetailsACT_SITE: Charge relay system => ECO:0000250
ChainResidueDetails
AHIS37
AASP64
ASER144
CHIS37
CASP64
CSER144

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 609
ChainResidueDetails
AHIS37proton acceptor, proton donor
AASP64electrostatic stabiliser
AGLY142electrostatic stabiliser
ASER144electrostatic stabiliser
ASER160electrostatic stabiliser

site_idMCSA2
Number of Residues5
DetailsM-CSA 609
ChainResidueDetails
CHIS37proton acceptor, proton donor
CASP64electrostatic stabiliser
CGLY142electrostatic stabiliser
CSER144electrostatic stabiliser
CSER160electrostatic stabiliser

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PDB entries from 2024-10-09

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