MolNFT v1 · #141314 · protein

Crystal structure of csra bound to cest

5Z38 · Cest protein: “Crystal structure of csra bound to cest”. X-ray diffraction, 17 pockets (best druggability 0.68). MolNFT v1 #141314 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5Z38
Type: protein
Length: 1,002 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cest protein; Truncated-csra; Wild type csra
UniProt: Q5WMC8, B7UHB4
Pockets: 17 · best druggability 0.68

Structure

x-ray diffraction · 9 distinct chains · 26% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cest protein	protein	154	37% helix, 23% strand	Q5WMC8
C	Cest protein	protein	155	37% helix, 23% strand	Q5WMC8
D	Cest protein	protein	150	35% helix, 24% strand	Q5WMC8
E, G, K	Truncated-csra	protein	41	0% helix, 63% strand	B7UHB4
F	Wild type csra	protein	58	16% helix, 50% strand	B7UHB4
H	Wild type csra	protein	56	16% helix, 54% strand	B7UHB4
I	Truncated-csra	protein	43	0% helix, 60% strand	B7UHB4
J	Wild type csra	protein	55	16% helix, 53% strand	B7UHB4
L	Wild type csra	protein	54	17% helix, 52% strand	B7UHB4

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	134	0.68	0.89	23	empty
2	127	0.67	0.89	23	empty
3	156	0.66	0.87	23	empty
4	175	0.57	0.81	21	empty
5	296	0.53	0.75	52	empty

Interfaces

19 interfaces between chains.

B–D · 2351 Å² buried · 25 hydrogen bonds · protein-protein
A–C · 2257 Å² buried · 21 hydrogen bonds · protein-protein
E–F · 1671 Å² buried · 33 hydrogen bonds · protein-protein
I–J · 1670 Å² buried · 30 hydrogen bonds · protein-protein
G–H · 1667 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

5Z38 · Crystal structure of CsrA bound to CesT · the same entry in another collection · chain L against L, 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 Q5WMC8
Every structure of UniProt B7UHB4
Elsewhere: RCSB PDB 5Z38 · PDBe 5Z38 · UniProt Q5WMC8 · UniProt B7UHB4

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