Structure of PDB 4d3i Chain A

Receptor sequence

>4d3iA (length=363) Species: 1423 (Bacillus subtilis)

MEEKEILWNEAKAFIAACYQELGKAAEVKDRLADIKSEIDLTGSYVHTKE
ELEHGAKMAWRNSNRCIGRLFWNSLNVIDRRDVRTKEEVRDALFHHIETA
TNNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASCS
LTAACEELGWRGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHP
DIEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYMGTEIGARNLA
DEKRYDKLKKVASVIGIAADYNTDLWKDQALVELNKAVLHSYKKQGVSIV
DHHTAASQFKRFEEQAEEAGRKLTGDWTWLIPPISPAATHIFHRSYDNSI
VKPNYFYQDKPYE

3D structure

• PDB: 4d3i Structure-Based Design of Bacterial Nitric Oxide Synthase Inhibitors.
• Chain: A
• Resolution: 2.09 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C66 R69 W238 E243
• Catalytic site (residue number reindexed from 1): C66 R69 W238 E243
• Enzyme Commision number: 1.14.14.47: nitric-oxide synthase (flavodoxin).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HEM	A	W60 R65 C66 F235 N236 G237 W238 E243 W329 Y355 Y357	W60 R65 C66 F235 N236 G237 W238 E243 W329 Y355 Y357
BS02	1ET	A	F235 E243 R247 W329	F235 E243 R247 W329
BS03	POL	A	D270 N272	D270 N272
BS04	POL	A	E243 R247 N248	E243 R247 N248

Gene Ontology

Molecular Function

• GO:0004517 nitric-oxide synthase activity
• GO:0016491 oxidoreductase activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006809 nitric oxide biosynthetic process

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:4d3i, PDBe:4d3i, PDBj:4d3i
• PDBsum: 4d3i
• PubMed: 25522110
• UniProt: O34453|NOSO_BACSU Nitric oxide synthase oxygenase (Gene Name=nos)