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5IMP

Crystal structure of N299A 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 Residues20
Detailsbinding site for residue POP A 401
ChainResidue
APHE81
AMG402
AMG403
AMG404
AJF1405
AHOH534
AHOH554
AHOH557
AHOH582
AHOH607
AHOH618
AASP84
AHOH634
AARG169
AASN213
ASER217
ALYS220
AGLU221
AARG308
ATYR309

site_idAC2
Number of Residues7
Detailsbinding site for residue MG A 402
ChainResidue
AASP84
APOP401
AMG403
AHOH554
AHOH607
AHOH634
AHOH701

site_idAC3
Number of Residues6
Detailsbinding site for residue MG A 403
ChainResidue
AASP84
APOP401
AMG402
AHOH534
AHOH557
AHOH634

site_idAC4
Number of Residues5
Detailsbinding site for residue MG A 404
ChainResidue
AASN213
ASER217
AGLU221
APOP401
AHOH582

site_idAC5
Number of Residues7
Detailsbinding site for residue JF1 A 405
ChainResidue
ATYR61
APHE81
APHE147
AVAL173
ALEU178
ALEU209
APOP401

site_idAC6
Number of Residues7
Detailsbinding site for residue GOL A 406
ChainResidue
AARG107
AGLU142
AARG149
AHOH562
AHOH671
CARG197
CGLU200

site_idAC7
Number of Residues18
Detailsbinding site for residue POP B 401
ChainResidue
BPHE81
BASP84
BARG169
BASN213
BSER217
BLYS220
BGLU221
BARG308
BTYR309
BMG402
BMG403
BMG404
BJF1405
BHOH522
BHOH542
BHOH594
BHOH643
BHOH658

site_idAC8
Number of Residues7
Detailsbinding site for residue MG B 402
ChainResidue
BASP84
BPOP401
BMG403
BHOH542
BHOH554
BHOH643
BHOH670

site_idAC9
Number of Residues6
Detailsbinding site for residue MG B 403
ChainResidue
BASP84
BPOP401
BMG402
BHOH522
BHOH548
BHOH643

site_idAD1
Number of Residues5
Detailsbinding site for residue MG B 404
ChainResidue
BASN213
BSER217
BGLU221
BPOP401
BHOH594

site_idAD2
Number of Residues7
Detailsbinding site for residue JF1 B 405
ChainResidue
BTYR61
BPHE81
BPHE147
BVAL173
BLEU178
BLEU209
BPOP401

site_idAD3
Number of Residues18
Detailsbinding site for residue POP C 401
ChainResidue
CSER217
CLYS220
CGLU221
CARG308
CTYR309
CMG402
CMG403
CMG404
CJF1405
CHOH504
CHOH533
CHOH560
CHOH568
CHOH606
CPHE81
CASP84
CARG169
CASN213

site_idAD4
Number of Residues7
Detailsbinding site for residue MG C 402
ChainResidue
CASP84
CPOP401
CMG403
CHOH526
CHOH568
CHOH606
CHOH625

site_idAD5
Number of Residues6
Detailsbinding site for residue MG C 403
ChainResidue
CASP84
CPOP401
CMG402
CHOH504
CHOH560
CHOH606

site_idAD6
Number of Residues5
Detailsbinding site for residue MG C 404
ChainResidue
CASN213
CSER217
CGLU221
CPOP401
CHOH520

site_idAD7
Number of Residues5
Detailsbinding site for residue JF1 C 405
ChainResidue
CTYR61
CPHE81
CVAL173
CLEU178
CPOP401

site_idAD8
Number of Residues8
Detailsbinding site for residue GOL C 406
ChainResidue
AARG197
ALEU275
AGLU278
ALEU280
AHOH637
CARG107
CGLU142
CARG149

site_idAD9
Number of Residues4
Detailsbinding site for residue GOL C 407
ChainResidue
BSER13
CHIS37
CARG114
CTYR120

site_idAE1
Number of Residues18
Detailsbinding site for residue POP D 401
ChainResidue
DPHE81
DASP84
DARG169
DASN213
DSER217
DLYS220
DGLU221
DARG308
DTYR309
DMG402
DMG403
DMG404
DJF1405
DHOH1015
DHOH1020
DHOH1037
DHOH1043
DHOH1068

site_idAE2
Number of Residues7
Detailsbinding site for residue MG D 402
ChainResidue
DASP84
DPOP401
DMG403
DHOH1009
DHOH1037
DHOH1068
DHOH1082

site_idAE3
Number of Residues6
Detailsbinding site for residue MG D 403
ChainResidue
DASP84
DPOP401
DMG402
DHOH1020
DHOH1043
DHOH1068

site_idAE4
Number of Residues5
Detailsbinding site for residue MG D 404
ChainResidue
DASN213
DSER217
DGLU221
DPOP401
DHOH1018

site_idAE5
Number of Residues8
Detailsbinding site for residue JF1 D 405
ChainResidue
DTYR61
DPHE81
DPHE147
DVAL173
DLEU178
DLEU209
DASN213
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 2024-10-16

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