Structure of PDB 3i2i Chain A

Receptor sequence
>3i2iA (length=573) Species: 104109 (Rhodococcus sp. MB1 'Bresler 1999') [Search protein sequence]
VDGNYSVASNVMVPMRDGVRLAVDLYRPDADGPVPVLLVRNPYDKFDVFA
WSTQSTNWLEFVRDGYAVVIQDTRGLFASEGEFVPHVDDEADAEDTLSWI
LEQAWCDGNVGMFGVSYLGVTQWQAAVSGVGGLKAIAPSMASADLYRAPW
YGPGGALSVEALLGWSALIGRGLITSRSDARPEDAADFVQLAAILNDVAG
AASVTPLAEQPLLGRLIPWVIDQVVDHPDNDESWQSISLFERLGGLATPA
LITAGWYDGFVGESLRTFVAVKDNADARLVVGPWSHSNLTGRNADRKFGI
AATYPIQEATTMHKAFFDRHLRGETDALAGVPKVRLFVMGIDEWRDETDW
PLPDTAYTPFYLGGSGAANTSTGGGTLSTSISGTESADTYLYDPADPVPS
LGGTLLFHNGDNGPADQRPIHDRDDVLCYSTEVLTDPVEVTGTVSARLFV
SSSAVDTDFTAKLVDVFPDGRAIALCDGIVRMRYRETLVNPTLIEAGEIY
EVAIDMLATSNVFLPGHRIMVQVSSSNFPKYDRNSNTGGVIAREQLEEMC
TAVNRIHRGPEHPSHIVLPIIKR
3D structure
PDB3i2i Structural analysis of thermostabilizing mutations of cocaine esterase.
ChainA
Resolution2.14 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) Y44 S117 Y118 W166 D259 H287
Catalytic site (residue number reindexed from 1) Y43 S116 Y117 W165 D258 H286
Enzyme Commision number 3.1.1.84: cocaine esterase.
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 DBC A Y44 S117 Y118 W151 W166 F261 H287 F408 Y43 S116 Y117 W150 W165 F260 H286 F407
Gene Ontology
Molecular Function
GO:0008239 dipeptidyl-peptidase activity
GO:0016787 hydrolase activity
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0050784 cocaine catabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3i2i, PDBe:3i2i, PDBj:3i2i
PDBsum3i2i
PubMed20436035
UniProtQ9L9D7|COCE_RHOSM Cocaine esterase (Gene Name=cocE)

[Back to BioLiP]