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3WI7

Crystal Structure of the Novel Haloalkane Dehalogenase DatA from Agrobacterium tumefaciens C58

Functional Information from GO Data
ChainGOidnamespacecontents
A0016787molecular_functionhydrolase activity
A0018786molecular_functionhaloalkane dehalogenase activity
B0016787molecular_functionhydrolase activity
B0018786molecular_functionhaloalkane dehalogenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE NHE A 301
ChainResidue
AASN43
AASP108
ATYR109
APHE147
APHE170
AGLY207
APRO208
APHE247
AHIS274

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE NHE A 302
ChainResidue
APRO176
ATRP177
APHE179
APRO182
AILE273
AHOH449
AHOH482
AHOH523
BSER144
BPHE179

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 303
ChainResidue
AGLU80
ATYR81
ATHR82
AASN210
AHOH502

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE NHE B 301
ChainResidue
BASN43
BASP108
BTYR109
BPHE147
BPHE170
BGLY207
BPRO208
BHIS274

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 302
ChainResidue
BGLU80
BTYR81
BTHR82
BARG209
BASN210
BHOH485
BHOH500

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues224
DetailsDomain: {"description":"AB hydrolase-1","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"description":"Nucleophile","evidences":[{"source":"HAMAP-Rule","id":"MF_01231","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_01231","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues2
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_01231","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

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PDB entries from 2025-12-24

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