Structure of PDB 4fvx Chain A Binding Site BS04

Receptor Information

>4fvx Chain A (length=407) Species: 10116 (Rattus norvegicus)

RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPTKDQLFPLAK
EFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGAKHAW
RNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAI
TIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQG
WKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFKDLGL
KWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEE
VAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSATESFI
KHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPD
PWNTHVW

Ligand information

• Ligand ID: TFA
• InChI: InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
• InChIKey: DTQVDTLACAAQTR-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: FC(F)(F)C(=O)O
  CACTVS 3.370: OC(=O)C(F)(F)F
  OpenEye OEToolkits 1.7.0: C(=O)(C(F)(F)F)O
• Formula: C2 H F3 O2
• Name: trifluoroacetic acid
• ChEMBL: CHEMBL506259
• ZINC: ZINC000003860798
• PDB chain: 4fvx Chain A Residue 804

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4fvx Methylated N(omega)-Hydroxy-l-arginine Analogues as Mechanistic Probes for the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): W587 V649
• Binding residue (residue number reindexed from 1): W278 V340
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C415 R418 W587 E592
• Catalytic site (residue number reindexed from 1): C106 R109 W278 E283
• Enzyme Commision number: 1.14.13.39: nitric-oxide synthase (NADPH).

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:4fvx, PDBe:4fvx, PDBj:4fvx
• PDBsum: 4fvx
• PubMed: 23586781
• UniProt: P29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)