MolNFT v1 · #83865 · protein

Crystal structure of the football-shaped groel-groes complex (groel: GROES2:ATP14) from escherichia COLI

3WVL · 60 kda chaperonin: “Crystal structure of the football-shaped groel-groes complex (groel: GROES2:ATP14) from escherichia COLI”. X-ray diffraction, 3 ligands (ATP, MG, K), 20 pockets (best druggability 0.84). MolNFT v1 #83865 on…

PDB: 3WVL
Type: protein
Length: 8,694 residues
Chains: 28
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 60 kda chaperonin; 10 kda chaperonin
EC: 3.6.4.9
UniProt: P0A6F5, P0A6F9
Ligands: ATP, MG, K
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N	60 kda chaperonin (EC 3.6.4.9)	protein	524	52% helix, 16% strand	P0A6F5
O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b	10 kda chaperonin (EC 3.6.4.9)	protein	97	0% helix, 42% strand	P0A6F9

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
MG · Magnesium ion · metal · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N
K · Potassium ion · metal · 14 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	302	0.84	0.94	49	empty
2	486	0.81	0.88	58	ATP, MG, K
3	1026	0.80	0.81	107	ATP, MG, K
4	525	0.80	0.86	68	ATP, MG, K
5	981	0.80	0.81	113	ATP, MG, K

Interfaces

71 interfaces between chains.

J–K · 2042 Å² buried · 18 hydrogen bonds · protein-protein
E–F · 2024 Å² buried · 19 hydrogen bonds · protein-protein
L–M · 2021 Å² buried · 21 hydrogen bonds · protein-protein
C–D · 2014 Å² buried · 22 hydrogen bonds · protein-protein
M–N · 1990 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

3WVL · Crystal structure of the football-shaped GroEL-GroES complex (GroEL: GroES2:ATP14) from… · the same entry in another collection · chain J against J, 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 P0A6F5
Every structure of UniProt P0A6F9
Elsewhere: RCSB PDB 3WVL · PDBe 3WVL · UniProt P0A6F5 · UniProt P0A6F9

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