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4KUX

Crystal structure of Aspergillus terreus aristolochene synthase complexed with farnesyl thiolodiphosphate (FSPP)

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 Residues6
DetailsBINDING SITE FOR RESIDUE MG A 701
ChainResidue
AASP84
AMG702
AFPS704
AHOH993
AHOH994
AHOH995

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 702
ChainResidue
AHOH995
AHOH996
AHOH1004
AHOH1006
AASP84
AMG701
AFPS704

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 703
ChainResidue
AASN213
ASER217
AGLU221
AFPS704
AHOH1109

site_idAC4
Number of Residues25
DetailsBINDING SITE FOR RESIDUE FPS A 704
ChainResidue
ATYR61
ALEU77
APHE81
AASP84
APHE147
AARG169
AVAL173
ALEU178
AASN213
ASER217
ALYS220
AGLU221
AASN299
ATRP302
AARG308
ATYR309
AMG701
AMG702
AMG703
AHOH862
AHOH993
AHOH994
AHOH995
AHOH996
AHOH1109

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG B 401
ChainResidue
BASP84
BMG403
BFPS405
BHOH793
BHOH794
BHOH795
BHOH799

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 402
ChainResidue
BARG107
BGLU142
BARG149
CARG197
CGLU200
CLEU280
CHOH803
CHOH984

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 403
ChainResidue
BASP84
BMG401
BFPS405
BHOH789
BHOH799
BHOH832

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 404
ChainResidue
BASN213
BSER217
BGLU221
BFPS405
BHOH791

site_idAC9
Number of Residues23
DetailsBINDING SITE FOR RESIDUE FPS B 405
ChainResidue
BTYR61
BLEU77
BPHE81
BASP84
BPHE147
BARG169
BVAL173
BLEU178
BASN213
BSER217
BLYS220
BGLU221
BASN299
BTRP302
BARG308
BTYR309
BMG401
BMG403
BMG404
BHOH789
BHOH793
BHOH799
BHOH832

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG C 701
ChainResidue
CASP84
CMG702
CFPS705
CHOH933
CHOH934
CHOH935
CHOH936

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG C 702
ChainResidue
CASP84
CMG701
CFPS705
CHOH930
CHOH931
CHOH933

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG C 703
ChainResidue
CASN213
CSER217
CGLU221
CFPS705
CHOH938

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL C 704
ChainResidue
BARG197
BLEU275
CARG107
CGLU142
CARG149

site_idBC5
Number of Residues22
DetailsBINDING SITE FOR RESIDUE FPS C 705
ChainResidue
CTYR61
CPHE81
CASP84
CPHE147
CARG169
CVAL173
CASN213
CSER217
CLYS220
CGLU221
CASN299
CTRP302
CARG308
CTYR309
CMG701
CMG702
CMG703
CHOH827
CHOH930
CHOH931
CHOH933
CHOH936

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG D 701
ChainResidue
DASN213
DSER217
DGLU221
DFPS704
DHOH860

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG D 702
ChainResidue
DASP84
DMG703
DFPS704
DHOH856
DHOH857
DHOH858

site_idBC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG D 703
ChainResidue
DASP84
DMG702
DFPS704
DHOH858
DHOH861
DHOH910
DHOH914

site_idBC9
Number of Residues20
DetailsBINDING SITE FOR RESIDUE FPS D 704
ChainResidue
DTYR61
DPHE81
DASP84
DPHE147
DARG169
DVAL173
DASN213
DSER217
DLYS220
DGLU221
DARG308
DTYR309
DMG701
DMG702
DMG703
DHOH856
DHOH857
DHOH858
DHOH906
DHOH914

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 2024-09-04

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