MolNFT v1 · #88858 · protein

Structure of the sthk carboxy-terminal region in complex with cgmp

4D7S · STHK_CNBD_CGMP: “Structure of the sthk carboxy-terminal region in complex with cgmp”. X-ray diffraction, 1 ligand (PCG), 6 pockets (best druggability 0.69). MolNFT v1 #88858 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4D7S
Type: protein
Length: 388 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: STHK_CNBD_CGMP
UniProt: E0RR11
Ligands: PCG
Pockets: 6 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	STHK_CNBD_CGMP	protein	197	48% helix, 18% strand	E0RR11
B	STHK_CNBD_CGMP	protein	191	49% helix, 18% strand	E0RR11

Ligands and binding sites

PCG · Cyclic guanosine monophosphate · ligand · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	93	0.69	0.92	19	PCG
2	100	0.66	0.90	17	PCG
3	177	0.65	0.86	19	empty
4	266	0.55	0.77	28	empty
5	194	0.52	0.78	28	empty

Interfaces

1 interface between chains.

A–B · 495 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4D7S · Structure of the SthK Carboxy-Terminal Region in complex with cGMP · 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 E0RR11
Elsewhere: RCSB PDB 4D7S · PDBe 4D7S · UniProt E0RR11

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