Structure of PDB 3dwr Chain B Binding Site BS02

Receptor Information

>3dwr Chain B (length=275) Species: 5664 (Leishmania major)

MSLAVEAVKDFLLKLQDDICEALEAEDGQATFVEDKWTGGRTRVMVDGAV
IEKGGVNFSHVYGCNFEAMGVSLVIHPKNPHVPTSHANVRLFVAEPVWWF
GGGFDLTPYYAVEEDCRDFHQVAQDLCKPFGADVYARFKGWCDEYFFIPY
RNEARGIGGLFFDDLNEWPFEKCFEFVQAVGKGYMDAYIPIVNRRKNTPY
TEQQVEFQEFRRGRYAEFNLVIDRGTKFGLQSGGRTESILISLPPRARWG
YNWQPEPGTPEARLTEYFLTKRQWV

Ligand information

• Ligand ID: 0PA
• InChI: InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
• InChIKey: YVHAIVPPUIZFBA-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1CCC(C1)CC(=O)O
  CACTVS 3.341: OC(=O)CC1CCCC1
  ACDLabs 10.04: O=C(O)CC1CCCC1
• Formula: C7 H12 O2
• Name: cyclopentylacetic acid
• ZINC: ZINC000000388161
• PDB chain: 3dwr Chain B Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3dwr Leishmania major coproporphyrinogen III oxidase with bound ligand
• Resolution: 1.66 Å
• Binding residue (original residue number in PDB): S93 G251 I265 I267
• Binding residue (residue number reindexed from 1): S72 G225 I239 I241
• Annotation score: 1

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

External links

• PDB: RCSB:3dwr, PDBe:3dwr, PDBj:3dwr
• PDBsum: 3dwr
• UniProt: P84155|HEM6_LEIMA Oxygen-dependent coproporphyrinogen-III oxidase (Gene Name=LMAJ006828)