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4XBT

Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol

Functional Information from GO Data
ChainGOidnamespacecontents
A0016787molecular_functionhydrolase activity
A0018744molecular_functionlimonene-1,2-epoxide hydrolase activity
B0016787molecular_functionhydrolase activity
B0018744molecular_functionlimonene-1,2-epoxide hydrolase activity
C0016787molecular_functionhydrolase activity
C0018744molecular_functionlimonene-1,2-epoxide hydrolase activity
D0016787molecular_functionhydrolase activity
D0018744molecular_functionlimonene-1,2-epoxide hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue 3ZQ A 201
ChainResidue
APHE74
AASP101
AVAL103
AVAL116
APHE134
AHOH542

site_idAC2
Number of Residues9
Detailsbinding site for residue FLC B 201
ChainResidue
BASP101
BVAL103
BVAL114
BVAL116
BASP132
BHOH399
BASN55
BPHE74
BILE80

site_idAC3
Number of Residues7
Detailsbinding site for residue 3ZQ C 201
ChainResidue
CASN55
CPHE74
CASP101
CVAL103
CPHE134
CHOH381
CHOH548

site_idAC4
Number of Residues8
Detailsbinding site for residue FLC D 201
ChainResidue
DASN55
DPHE74
DILE80
DASP101
DVAL103
DVAL114
DPHE134
DHOH409

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton donor => ECO:0000305
ChainResidueDetails
AASP101
BASP101
CASP101
DASP101

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000305
ChainResidueDetails
AASP132
BASP132
CASP132
DASP132

Catalytic Information from CSA
site_idMCSA1
Number of Residues5
DetailsM-CSA 644
ChainResidueDetails
ATYR53electrostatic stabiliser
AASN55electrostatic stabiliser
AARG99electrostatic stabiliser, proton acceptor, proton donor, proton relay
AASP101proton acceptor, proton donor
AASP132activator, proton acceptor, proton donor

site_idMCSA2
Number of Residues5
DetailsM-CSA 644
ChainResidueDetails
BTYR53electrostatic stabiliser
BASN55electrostatic stabiliser
BARG99electrostatic stabiliser, proton acceptor, proton donor, proton relay
BASP101proton acceptor, proton donor
BASP132activator, proton acceptor, proton donor

site_idMCSA3
Number of Residues5
DetailsM-CSA 644
ChainResidueDetails
CTYR53electrostatic stabiliser
CASN55electrostatic stabiliser
CARG99electrostatic stabiliser, proton acceptor, proton donor, proton relay
CASP101proton acceptor, proton donor
CASP132activator, proton acceptor, proton donor

site_idMCSA4
Number of Residues5
DetailsM-CSA 644
ChainResidueDetails
DTYR53electrostatic stabiliser
DASN55electrostatic stabiliser
DARG99electrostatic stabiliser, proton acceptor, proton donor, proton relay
DASP101proton acceptor, proton donor
DASP132activator, proton acceptor, proton donor

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PDB entries from 2025-06-18

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