Structure of PDB 3i51 Chain A

Receptor sequence
>3i51A (length=256) Species: 37919 (Rhodococcus opacus) [Search protein sequence]
ATADTSPERLAAIAKDALGALNDVILKHGVTYPEYRVFKQWLIDVGEGGE
WPLFLDVFIEHSVEEVLARSRKGTMGSIEGPYYIENSPELPSKCTLPMRE
EDEKITPLVFSGQVTDLDGNGLAGAKVELWHADNDGYYSQFAPHLPEWNL
RGTIIADEEGRYEITTIQPAPYQIPTDGPTGQFIEAQNGHPWRPAHLHLI
VSAPGKESVTTQLYFKGGEWIDSDVASATKPELILDPKTGDDGKNYVTYN
FVLDPA
3D structure
PDB3i51 Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts.
ChainA
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Y162 Y196 R217 H220 H222
Catalytic site (residue number reindexed from 1) Y138 Y172 R193 H196 H198
Enzyme Commision number 1.13.11.1: catechol 1,2-dioxygenase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 FE A Y162 H220 H222 Y138 H196 H198
BS02 45C A D80 V81 P105 Y106 Y162 Y196 R217 H220 H222 D56 V57 P81 Y82 Y138 Y172 R193 H196 H198 MOAD: Ki=0.02uM
PDBbind-CN: -logKd/Ki=7.70,Ki=0.02uM
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0008199 ferric iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0018576 catechol 1,2-dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:0009712 catechol-containing compound metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3i51, PDBe:3i51, PDBj:3i51
PDBsum3i51
PubMed20040374
UniProtP95607|CATA_RHOOP Catechol 1,2-dioxygenase (Fragment) (Gene Name=catA)

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