MolNFT v1 · #151517 · protein

Structure of eal enzyme BD1971 - cgmp bound form

6HQ7: “Structure of eal enzyme BD1971 - cgmp bound form”. X-ray diffraction, 2 ligands (PCG, MG), 8 pockets (best druggability 0.72). MolNFT v1 #151517 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6HQ7
Type: protein
Length: 749 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Eal enzyme BD1971
UniProt: Q6MLN6
Ligands: PCG, MG
Pockets: 8 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Eal enzyme BD1971	protein	377	44% helix, 25% strand	Q6MLN6
B	Eal enzyme BD1971	protein	372	46% helix, 27% strand	Q6MLN6

Ligands and binding sites

PCG · Cyclic guanosine monophosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	276	0.72	0.86	42	PCG
2	465	0.66	0.78	47	MG
3	414	0.64	0.78	45	MG
4	113	0.44	0.78	22	empty
5	62	0.41	0.80	20	empty

Interfaces

1 interface between chains.

A–B · 3449 Å² buried · 54 hydrogen bonds · protein-protein

Compared structures

6HQ7 · Structure of EAL Enzyme Bd1971 - cGMP bound form · the same entry in another collection · chain A against A, TM-score 1.00

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 Q6MLN6
Elsewhere: RCSB PDB 6HQ7 · PDBe 6HQ7 · UniProt Q6MLN6

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