Structure of PDB 4ux6 Chain B Binding Site BS01

Receptor Information

>4ux6 Chain B (length=389) Species: 10090 (Mus musculus)

SCLGSIMNPKSLTRGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHL
ARLEAVTKEIETTGTYQLTLDELIFATKMAWRNAPRCIGRIQWSNLQVFD
ARNCSTAQEMFQHICRHILYATNNGNIRSAITVFPQRSDGKHDFRLWNSQ
LIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLPLVLQADG
QDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLE
FPACPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLWKDR
AVTEINVAVLHSFQKQNVTIMDHHTASESFMKHMQNEYRARGGCPADWIW
LVPPVSGSITPVFHQEMLNYVLSPFYYYQIEPWKTHIWQ

Ligand information

>4ux6 Chain A (length=24) Species: 10090 (Mus musculus)

QYVRIKNWGSGEILHDTLHHKATS

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ux6 The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): Y445 R448 G449 G450 H471 Q472 E473 L475 Y477 V478 L479
• Binding residue (residue number reindexed from 1): Y338 R341 G342 G343 H364 Q365 E366 L368 Y370 V371 L372

Enzymatic activity

• Catalytic site (original residue number in PDB): C194 R197 W366 E371
• Catalytic site (residue number reindexed from 1): C87 R90 W259 E264
• Enzyme Commision number: 1.14.13.39: nitric-oxide synthase (NADPH).

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity
• GO:0020037 heme binding

Biological Process

• GO:0006809 nitric oxide biosynthetic process

External links

• PDB: RCSB:4ux6, PDBe:4ux6, PDBj:4ux6
• PDBsum: 4ux6
• PubMed: 21398123
• UniProt: P29477|NOS2_MOUSE Nitric oxide synthase, inducible (Gene Name=Nos2)