Structure of PDB 1w1z Chain B Binding Site BS01
Receptor Information
>1w1z Chain B (length=319) Species:
1098
(Prosthecochloris vibrioformis) [
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VHRPRRLRRTAALRNLVQENTLTVNDLVFPLFVMPGTNAVEEVSSMPGSF
RFTIDRAVEECKELYDLGIQGIDLFGIPEQKTEDGSEAYNDNGILQQAIR
AIKKAVPELCIMTDVALDPFTPFGHDGLVKDGIILNDETVEVLQKMAVSH
AEAGADFVSPSDMMDGRIGAIREALDETDHSDVGILSYAAKYASSFYGPF
RDALHSAPQFGDKSTYQMNPANTEEAMKEVELDIVEGADIVMVKPGLAYL
DIVWRTKERFDVPVAIYHVSGEYAMVKAAAAKGWIDEDRVMMESLLCMKR
AGADIIFTYYAKEAAKKLR
Ligand information
Ligand ID
SHF
InChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey
JOOXCMJARBKPKM-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
CC(=O)CCC(=O)O
CACTVS 3.370
CC(=O)CCC(O)=O
ACDLabs 12.01
O=C(C)CCC(=O)O
Formula
C5 H8 O3
Name
LAEVULINIC ACID;
LEVULINIC ACID
ChEMBL
CHEMBL1235931
DrugBank
DB02239
ZINC
ZINC000000586584
PDB chain
1w1z Chain B Residue 1253 [
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Receptor-Ligand Complex Structure
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PDB
1w1z
The X-ray structure of the plant like 5-aminolaevulinic acid dehydratase from Chlorobium vibrioforme complexed with the inhibitor laevulinic acid at 2.6 A resolution.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
F84 F209 K253 Y276 V278 S279 Y318
Binding residue
(residue number reindexed from 1)
F75 F200 K244 Y267 V269 S270 Y309
Annotation score
2
Enzymatic activity
Catalytic site (original residue number in PDB)
K200 K253
Catalytic site (residue number reindexed from 1)
K191 K244
Enzyme Commision number
4.2.1.24
: porphobilinogen synthase.
Gene Ontology
Molecular Function
GO:0004655
porphobilinogen synthase activity
GO:0008270
zinc ion binding
GO:0016829
lyase activity
GO:0046872
metal ion binding
Biological Process
GO:0006782
protoporphyrinogen IX biosynthetic process
GO:0006783
heme biosynthetic process
GO:0033014
tetrapyrrole biosynthetic process
Cellular Component
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1w1z
,
PDBe:1w1z
,
PDBj:1w1z
PDBsum
1w1z
PubMed
15327955
UniProt
Q59334
|HEM2_CHLP8 Delta-aminolevulinic acid dehydratase (Gene Name=hemB)
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