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3KB9

Epi-isozizaene synthase: Complex with Mg, inorganic pyrophosphate and benzyl triethyl ammonium cation

Functional Information from GO Data
ChainGOidnamespacecontents
A0016829molecular_functionlyase activity
A0046872molecular_functionmetal ion binding
A0052680molecular_functionepi-isozizaene synthase activity
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MG A 700
ChainResidue
AASP99
AHOH437
AHOH438
AHOH440
AHOH449
AMG701
APOP703

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 701
ChainResidue
AHOH435
AHOH438
AMG700
APOP703
AASP99
AHOH433

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 702
ChainResidue
AASN240
ASER244
AGLU248
AHOH432
APOP703

site_idAC4
Number of Residues19
DetailsBINDING SITE FOR RESIDUE POP A 703
ChainResidue
AASP99
AARG194
AASN240
ASER244
ALYS247
AGLU248
AARG338
ATYR339
AHOH432
AHOH433
AHOH435
AHOH437
AHOH438
AHOH449
AHOH498
AMG700
AMG701
AMG702
ABTM704

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE BTM A 704
ChainResidue
ALEU72
APHE95
APHE96
AASP99
ATHR197
APHE198
AASN240
APHE332
AHIS333
ATYR339
APOP703

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 706
ChainResidue
AARG163
AHIS164
AARG220
AARG226
AHOH476
AHOH649
AGOL707

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 707
ChainResidue
AHIS164
ATRP201
AHOH495
AHOH679
ASO4706

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 708
ChainResidue
ALEU23
APRO24
AVAL25
AGLU281
AILE284
ATHR285

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 709
ChainResidue
ASER20
ALEU21
ALEU242
APRO246
AHOH666
AHOH667
AHOH676
AHOH735

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 710
ChainResidue
ALEU295
AHOH431
AHOH510
AHOH543

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING:
ChainResidueDetails
AASP99
AASP103
AASN240
ASER244
AGLU248

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 263
ChainResidueDetails
APHE95electrostatic stabiliser, polar/non-polar interaction, steric role
APHE96electrostatic stabiliser, polar/non-polar interaction, steric role
APHE198electrostatic stabiliser, polar/non-polar interaction, steric role
AARG338electrostatic stabiliser, hydrogen bond donor, promote heterolysis

224201

PDB entries from 2024-08-28

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