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5IMI

Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium

Functional Information from GO Data
ChainGOidnamespacecontents
A0016829molecular_functionlyase activity
A0045483molecular_functionaristolochene synthase activity
A0046872molecular_functionmetal ion binding
B0016829molecular_functionlyase activity
B0045483molecular_functionaristolochene synthase activity
B0046872molecular_functionmetal ion binding
C0016829molecular_functionlyase activity
C0045483molecular_functionaristolochene synthase activity
C0046872molecular_functionmetal ion binding
D0016829molecular_functionlyase activity
D0045483molecular_functionaristolochene synthase activity
D0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue POP A 401
ChainResidue
APHE81
AMG402
AMG403
AMG404
AJF1405
AHOH522
AHOH524
AHOH535
AHOH557
AHOH588
AHOH680
AASP84
AARG169
AASN213
ASER217
ALYS220
AGLU221
AARG308
ATYR309

site_idAC2
Number of Residues7
Detailsbinding site for residue MG A 402
ChainResidue
AASP84
APOP401
AMG403
AHOH524
AHOH580
AHOH641
AHOH680

site_idAC3
Number of Residues6
Detailsbinding site for residue MG A 403
ChainResidue
AASP84
APOP401
AMG402
AHOH535
AHOH588
AHOH680

site_idAC4
Number of Residues5
Detailsbinding site for residue MG A 404
ChainResidue
AASN213
ASER217
AGLU221
APOP401
AHOH522

site_idAC5
Number of Residues5
Detailsbinding site for residue JF1 A 405
ChainResidue
ATYR61
APHE81
APHE147
AVAL173
APOP401

site_idAC6
Number of Residues8
Detailsbinding site for residue GOL A 406
ChainResidue
AARG107
AGLU142
AARG149
AHOH518
CARG197
CGLU200
CLEU275
CHOH549

site_idAC7
Number of Residues16
Detailsbinding site for residue POP B 401
ChainResidue
BPHE81
BASP84
BARG169
BASN213
BSER217
BLYS220
BGLU221
BARG308
BTYR309
BMG402
BMG403
BMG404
BJF1405
BHOH587
BHOH593
BHOH599

site_idAC8
Number of Residues6
Detailsbinding site for residue MG B 402
ChainResidue
BASP84
BPOP401
BMG403
BHOH587
BHOH593
BHOH642

site_idAC9
Number of Residues5
Detailsbinding site for residue MG B 403
ChainResidue
BASP84
BPOP401
BMG402
BHOH516
BHOH599

site_idAD1
Number of Residues5
Detailsbinding site for residue MG B 404
ChainResidue
BASN213
BSER217
BGLU221
BPOP401
BHOH537

site_idAD2
Number of Residues7
Detailsbinding site for residue JF1 B 405
ChainResidue
BTYR61
BPHE81
BPHE147
BVAL173
BASN213
BASN299
BPOP401

site_idAD3
Number of Residues16
Detailsbinding site for residue POP C 401
ChainResidue
CMG403
CMG404
CJF1405
CHOH517
CHOH543
CHOH547
CPHE81
CASP84
CARG169
CASN213
CSER217
CLYS220
CGLU221
CARG308
CTYR309
CMG402

site_idAD4
Number of Residues6
Detailsbinding site for residue MG C 402
ChainResidue
CASP84
CPOP401
CHOH517
CHOH543
CHOH547
CHOH575

site_idAD5
Number of Residues5
Detailsbinding site for residue MG C 403
ChainResidue
CASP84
CGLU88
CLYS220
CPOP401
CHOH543

site_idAD6
Number of Residues4
Detailsbinding site for residue MG C 404
ChainResidue
CASN213
CSER217
CGLU221
CPOP401

site_idAD7
Number of Residues7
Detailsbinding site for residue JF1 C 405
ChainResidue
CVAL57
CTYR61
CPHE81
CPHE147
CVAL173
CASN299
CPOP401

site_idAD8
Number of Residues15
Detailsbinding site for residue POP D 401
ChainResidue
DPHE81
DASP84
DARG169
DASN213
DSER217
DLYS220
DGLU221
DARG308
DTYR309
DMG402
DMG403
DMG404
DJF1405
DHOH506
DHOH512

site_idAD9
Number of Residues6
Detailsbinding site for residue MG D 402
ChainResidue
DASP84
DPOP401
DMG403
DHOH512
DHOH524
DHOH534

site_idAE1
Number of Residues7
Detailsbinding site for residue MG D 403
ChainResidue
DASP84
DGLU88
DLYS220
DPOP401
DMG402
DHOH506
DHOH527

site_idAE2
Number of Residues4
Detailsbinding site for residue MG D 404
ChainResidue
DASN213
DSER217
DGLU221
DPOP401

site_idAE3
Number of Residues7
Detailsbinding site for residue JF1 D 405
ChainResidue
DVAL57
DTYR61
DPHE81
DPHE147
DVAL173
DLEU177
DPOP401

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsBINDING: BINDING => ECO:0000269|PubMed:17261032, ECO:0000269|PubMed:18385128
ChainResidueDetails
AASP84
CASN213
CSER217
CGLU221
DASP84
DASN213
DSER217
DGLU221
AASN213
ASER217
AGLU221
BASP84
BASN213
BSER217
BGLU221
CASP84

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:18385128
ChainResidueDetails
AARG169
ALYS220
BARG169
BLYS220
CARG169
CLYS220
DARG169
DLYS220

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING:
ChainResidueDetails
AARG308
BARG308
CARG308
DARG308

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PDB entries from 2024-10-09

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