Structure of PDB 2wm3 Chain A Binding Site BS02

Receptor Information
>2wm3 Chain A (length=296) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKKLVVVFGGTGAQGGSVARTLLEDGTFKVRVVTRNPRKKAAKELRLQGA
EVVQGDQDDQVIMELALNGAYATFIVTNYWESCSQEQEVKQGKLLADLAR
RLGLHYVVYSGLENIKKLTAGRLAAAHFDGKGEVEEYFRDIGVPMTSVRL
PCYFENLLSHFLPQKAPDGKSYLLSLPTGDVPMDGMSVSDLGPVVLSLLK
MPEKYVGQNIGLSTCRHTAEEYAALLTKHTRKVVHDAKMTPEDYEKLGFP
GARDLANMFRFYALRPDRDIELTLRLNPKALTLDQWLEQHKGDFNL
Ligand information
Ligand IDNFL
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKeyJZFPYUNJRRFVQU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F
CACTVS 3.341OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
ACDLabs 10.04FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O
FormulaC13 H9 F3 N2 O2
Name2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID;
2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID
ChEMBLCHEMBL63323
DrugBankDB04552
ZINCZINC000000125031
PDB chain2wm3 Chain A Residue 1300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wm3 Crystal Structure of Nmra-Like Family Domain Containing Protein 1 in Complex with Niflumic Acid
Resolution1.85 Å
Binding residue
(original residue number in PDB)		W82 H129 H162 M260 Y264
Binding residue
(residue number reindexed from 1)		W80 H127 H160 M258 Y262
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0042802 identical protein binding
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0048471 perinuclear region of cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2wm3, PDBe:2wm3, PDBj:2wm3
PDBsum2wm3
PubMed
UniProtQ9HBL8|NMRL1_HUMAN NmrA-like family domain-containing protein 1 (Gene Name=NMRAL1)

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