Research workbench

Calmodulin bound to peptide from macrophage nitric oxide synthase

Analyse Calmodulin bound to peptide from macrophage nitric oxide synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3GOF
Type: protein
Length: 320 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin; Nitric oxide synthase, inducible
EC: 1.14.13.39
UniProt: P62149, P29477
Ligands: CA, SO4
Pockets: 2 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Calmodulin	protein	144	60% helix, 6% strand	P62149
C, D	Nitric oxide synthase, inducible (EC 1.14.13.39)	protein	16	56% helix, 0% strand	P29477

Ligands and binding sites

CA · Calcium ion · metal · 8 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	478	0.62	0.75	37	empty
2	111	0.58	0.84	20	empty

Interfaces

3 interfaces between chains.

B–D · 1423 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 1418 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 526 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

3GOF · Calmodulin bound to peptide from macrophage nitric oxide synthase · the same entry in another collection · chain A against A, TM-score 1.00
P62149 · AlphaFold monomer V2.0 prediction for calmodulin (P62149) · a predicted model of the same protein · chain B against A, TM-score 0.52

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P62149
Every structure of UniProt P29477
Elsewhere: RCSB PDB 3GOF · PDBe 3GOF · UniProt P62149 · UniProt P29477

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