Structure of PDB 4d3m Chain A

Receptor sequence

>4d3mA (length=362) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168)

EEKEILWNEAKAFIAACYQELGKAAEVKDRLADIKSEIDLTGSYVHTKEE
LEHGAKMAWRNSNRCIGRLFWNSLNVIDRRDVRTKEEVRDALFHHIETAT
NNGKIRPTITIFPPEEKGEKQVEIWNHQLIRYAGYESDGERIGDPASCSL
TAACEELGWRGERTDFDLLPLIFRMKGDEQPVWYELPRSLVIEVPITHPD
IEAFSDLELKWYGVPIISDMKLEVGGIHYNAAPFNGWYMGTEIGARNLAD
EKRYDKLKKVASVIGIAADYNTDLWKDQALVELNKAVLHSYKKQGVSIVD
HHTAASQFKRFEEQAEEAGRKLTGDWTWLIPPISPAATHIFHRSYDNSIV
KPNYFYQDKPYE

3D structure

• PDB: 4d3m Structure-based design of bacterial nitric oxide synthase inhibitors.
• Chain: A
• Resolution: 1.741 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C66 R69 W238 E243
• Catalytic site (residue number reindexed from 1): C65 R68 W237 E242
• 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 R247 W329 Y355 Y357	W59 R64 C65 F234 N235 G236 W237 E242 R246 W328 Y354 Y356
BS02	IVU	A	R132 I218 F235 E243 R247 W329	R131 I217 F234 E242 R246 W328
BS03	POL	A	V183 W184	V182 W183
BS04	POL	A	K310 E313 E314	K309 E312 E313

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:4d3m, PDBe:4d3m, PDBj:4d3m
• PDBsum: 4d3m
• PubMed: 25522110
• UniProt: O34453|NOSO_BACSU Nitric oxide synthase oxygenase (Gene Name=nos)