Structure of PDB 1d07 Chain A Binding Site BS01

Receptor Information
>1d07 Chain A (length=293) Species: 13689 (Sphingomonas paucimobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAKPFGEKKFIEIKGRRMAYIDEGTGDPILFQHGNPTSSYLWRNIMPHCA
GLGRLIACDLIGMGDSDKLDPSGPERYAYAEHRDYLDALWEALDLGDRVV
LVVHDWGSALGFDWARRHRERVQGIAYMEAIAMPIEWADFPEQDRDLFQA
FRSQAGEELVLQDNVFVEQVLPGLILRPLSEAEMAAYREPFLAAGEARRP
TLSWPRQIPIAGTPADVVAIARDYAGWLSESPIPKLFINAEPGALTTGRM
RDFCRTWPNQTEITVAGAHFIQEDSPDEIGAAIAAFVRRLRPA
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain1d07 Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1d07 Crystal structure of the haloalkane dehalogenase from Sphingomonas paucimobilis UT26.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N38 D108 F151 F169 H272
Binding residue
(residue number reindexed from 1)		N35 D105 F148 F166 H269
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N38 D108 W109 E132 F143 G246 H272
Catalytic site (residue number reindexed from 1) N35 D105 W106 E129 F140 G243 H269
Enzyme Commision number 3.8.1.5: haloalkane dehalogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0018786 haloalkane dehalogenase activity
Biological Process
GO:0009636 response to toxic substance
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1d07, PDBe:1d07, PDBj:1d07
PDBsum1d07
PubMed11087355
UniProtD4Z2G1|LINB_SPHIU Haloalkane dehalogenase (Gene Name=linB)

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