Structure of PDB 3dws Chain B Binding Site BS01

Receptor Information
>3dws Chain B (length=304) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMSLAVEAVKDFLLKLQDDICEALEAEDGQATFVEDKWTREGGGGGRT
RVMVDGAVIEKGGVNFSHVYGKGLPMSSTERHPDIAGCNFEAMGVSLVIH
PKNPHVPTSHANVRLFVAEREGKEPVWWFGGGFDLTPYYAVEEDCRDFHQ
VAQDLCKPFGADVYARFKGWCDEYFFIPYRNEARGIGGLFFDDLNEWPFE
KCFEFVQAVGKGYMDAYIPIVNRRKNTPYTEQQVEFQEFRRGRYAEFNLV
IDRGTKFGLQSGGRTESILISLPPRARWGYNWQPEPGTPEARLTEYFLTK
RQWV
Ligand information
Ligand IDFIC
InChIInChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChIKeyWTXBRZCVLDTWLP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1F)cc([nH]2)C(=O)O
CACTVS 3.341OC(=O)c1[nH]c2ccc(F)cc2c1
ACDLabs 10.04Fc1cc2c(cc1)nc(c2)C(=O)O
FormulaC9 H6 F N O2
Name5-fluoroindole-2-carboxylic acid
ChEMBLCHEMBL23507
DrugBank
ZINCZINC000000083028
PDB chain3dws Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dws Leishmania major Coproporphyrinogen III Oxidase with bound ligand
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S93 H107 N109 R111 G251
Binding residue
(residue number reindexed from 1)		S96 H110 N112 R114 G254
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.3.3: coproporphyrinogen oxidase.
Gene Ontology
Molecular Function
GO:0004109 coproporphyrinogen oxidase activity
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0006782 protoporphyrinogen IX biosynthetic process
GO:0006783 heme biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3dws, PDBe:3dws, PDBj:3dws
PDBsum3dws
PubMed
UniProtP84155|HEM6_LEIMA Oxygen-dependent coproporphyrinogen-III oxidase (Gene Name=LMAJ006828)

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