Structure of PDB 1x7d Chain A Binding Site BS02

Receptor Information
>1x7d Chain A (length=340) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYFIDVPTMSDLVHDIGVAPFIGELAAALRDDFKRWQAFDKSARVASHSE
VGVIELMPVADKSRYAFKYVNGHPANTARNLHTVMAFGVLADVDSGYPVL
LSELTIATALRTAATSLMAAQALARPNARKMALIGNGAQSEFQALAFHKH
LGIEEIVAYDTDPLATAKLIANLKEYSGLTIRRASSVAEAVKGVDIITTV
TADKAYATIITPDMLEPGMHLNAVGGDCPGKTELHADVLRNARVFVEYEP
QTRIEGEIQQLPADFPVVDLWRVLRGETEGRQSDSQVTVFDSVGFALEDY
TVLRYVLQQAEKRGMGTKIDLVPWVEDDPKDLFSHTRGRA
Ligand information
Ligand IDORN
InChIInChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKeyAHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C[C@@H](C(=O)O)N)CN
CACTVS 3.370NCCC[CH](N)C(O)=O
CACTVS 3.370NCCC[C@H](N)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCN
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CN
FormulaC5 H12 N2 O2
NameL-ornithine
ChEMBLCHEMBL446143
DrugBankDB00129
ZINCZINC000001532530
PDB chain1x7d Chain A Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1x7d Ornithine Cyclodeaminase: Structure, Mechanism of Action, and Implications for the u-Crystallin Family
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R45 V54 E56 M58 K69 V71 N72 G73 R112 D228 V294
Binding residue
(residue number reindexed from 1)		R44 V53 E55 M57 K68 V70 N71 G72 R111 D227 V293
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E56 D228
Catalytic site (residue number reindexed from 1) E55 D227
Enzyme Commision number 4.3.1.12: ornithine cyclodeaminase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008473 ornithine cyclodeaminase activity
GO:0016829 lyase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0055129 L-proline biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1x7d, PDBe:1x7d, PDBj:1x7d
PDBsum1x7d
PubMed15518536
UniProtQ88H32|OCD_PSEPK Ornithine cyclodeaminase (Gene Name=ocd)

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