Structure of PDB 1c0i Chain A Binding Site BS03
Receptor Information
>1c0i Chain A (length=363) Species:
5286
(Rhodotorula toruloides) [
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LMMHSQKRVVVLGSGVIGLSSALILARKGYSVHILARDLPEDVSSQTFAS
PWAGANWTPFMTLTDGPRQAKWEESTFKKWVELVPTGHAMWLKGTRRFAQ
NEDGLLGHWYKDITPNYRPLPSSECPPGAIGVTYDTLSVHAPKYCQYLAR
ELQKLGATFERRTVTSLEQAFDGADLVVNATGLGAKSIAGIDDQAAEPIR
GQTVLVKSPCKRCTMDSSDPASPAYIIPRPGGEVICGGTYGVGDWDLSVN
PETVQRILKHCLRLDPTISSDGTIEGIEVLRHNVGLRPARRGGPRVEAER
IVLPLDRTKSPLSLGRGSARAAKEKEVTLVHAYGFSSAGYQQSWGAAEDV
AQLVDEAFQRYHG
Ligand information
Ligand ID
BE2
InChI
InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
RWZYAGGXGHYGMB-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
Nc1ccccc1C(O)=O
ACDLabs 10.04
O=C(O)c1ccccc1N
OpenEye OEToolkits 1.5.0
c1ccc(c(c1)C(=O)O)N
Formula
C7 H7 N O2
Name
2-AMINOBENZOIC ACID
ChEMBL
CHEMBL14173
DrugBank
DB04166
ZINC
ZINC000000047985
PDB chain
1c0i Chain A Residue 1365 [
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Receptor-Ligand Complex Structure
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PDB
1c0i
Yeast d-amino Acid oxidase: structural basis of its catalytic properties
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
F1058 Y1238
Binding residue
(residue number reindexed from 1)
F60 Y240
Annotation score
1
Binding affinity
MOAD
: Kd=2mM
Enzymatic activity
Catalytic site (original residue number in PDB)
N1054 S1335 Q1339
Catalytic site (residue number reindexed from 1)
N56 S337 Q341
Enzyme Commision number
1.4.3.3
: D-amino-acid oxidase.
Gene Ontology
Molecular Function
GO:0003884
D-amino-acid oxidase activity
GO:0071949
FAD binding
Biological Process
GO:0046416
D-amino acid metabolic process
View graph for
Molecular Function
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Biological Process
External links
PDB
RCSB:1c0i
,
PDBe:1c0i
,
PDBj:1c0i
PDBsum
1c0i
PubMed
12445787
UniProt
P80324
|OXDA_RHOTO D-amino-acid oxidase (Gene Name=DAO1)
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