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5CLK

Crystal structure of SZ348 in complex 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
Functional Information from PDB Data
site_idAC1
Number of Residues2
Detailsbinding site for residue NI A 201
ChainResidue
AHIS-2
AHIS1

site_idAC2
Number of Residues2
Detailsbinding site for residue NI A 202
ChainResidue
AHIS-3
AHIS-2

site_idAC3
Number of Residues1
Detailsbinding site for residue NI A 203
ChainResidue
AHIS-3

site_idAC4
Number of Residues7
Detailsbinding site for residue 3ZQ A 204
ChainResidue
AVAL116
AASP132
AHOH301
AASN55
ATYR80
AASP101
ALEU103

site_idAC5
Number of Residues6
Detailsbinding site for residue K A 205
ChainResidue
AALA16
AALA17
AALA19
AILE88
BSER91
BASN92

site_idAC6
Number of Residues3
Detailsbinding site for residue K A 206
ChainResidue
ASER90
BSER90
BHOH319

site_idAC7
Number of Residues2
Detailsbinding site for residue CL A 207
ChainResidue
AHOH328
AHOH333

site_idAC8
Number of Residues6
Detailsbinding site for residue 3ZQ B 201
ChainResidue
BASN55
BTYR80
BASP101
BLEU103
BASP132
BHOH301

site_idAC9
Number of Residues5
Detailsbinding site for residue K B 202
ChainResidue
AASN92
BALA16
BALA17
BALA19
BILE88

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

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

247536

PDB entries from 2026-01-14

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