MolNFT v1 · #43707 · protein

Solution NMR structure of cam bound to inos cam binding domain peptide

2LL6 · Calmodulin: “Solution NMR structure of cam bound to inos cam binding domain peptide”. Solution nmr, 3 pockets (best druggability 0.64). MolNFT v1 #43707 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2LL6
Type: protein
Length: 165 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin; Nitric oxide synthase, inducible
EC: 1.14.13.39
UniProt: P62158, P35228
Pockets: 3 · best druggability 0.64

Structure

solution nmr · 2 distinct chains · 57% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin	protein	148	55% helix, 5% strand	P62158
B	Nitric oxide synthase, inducible (EC 1.14.13.39)	protein	17	71% helix, 0% strand	P35228

Pockets

3 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	236	0.64	0.82	32	empty
2	111	0.52	0.81	18	empty
3	107	0.43	0.77	19	empty

Interfaces

1 interface between chains.

A–B · 1370 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2LL6 · Solution NMR structure of CaM bound to iNOS CaM binding domain peptide · the same entry in another collection · chain B against B, TM-score 1.00
P35228 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, inducible (P35228) · a predicted model of the same protein · chain B against A, TM-score 0.48

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 P62158
Every structure of UniProt P35228
Elsewhere: RCSB PDB 2LL6 · PDBe 2LL6 · UniProt P62158 · UniProt P35228

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