MolNFT v1 · #158991 · protein

Structure of the hyperactive clpb mutant K476C, bound to casein, pre- state

6OAX · Hyperactive disaggregase clpb: “Structure of the hyperactive clpb mutant K476C, bound to casein, pre- state”. Electron microscopy, 2 ligands (AGS, ADP), 20 pockets (best druggability 0.87). MolNFT v1 #158991 on GenesisL1: 3D…

PDB: 6OAX
Type: protein
Length: 3,500 residues
Chains: 7
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hyperactive disaggregase clpb; Alpha-S1-casein
Ligands: AGS, ADP
Pockets: 20 · best druggability 0.87

Structure

electron microscopy · 4 distinct chains · 37% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C, D, B, A	Hyperactive disaggregase clpb	protein	581	42% helix, 14% strand	—
F	Hyperactive disaggregase clpb	protein	571	27% helix, 4% strand	—
E	Hyperactive disaggregase clpb	protein	579	44% helix, 9% strand	—
P	Alpha-S1-casein	protein	26	0% helix, 23% strand	—

Ligands and binding sites

AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 9 copies · chains C, B, E, D, A, F
ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains F, E, A

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	1040	0.87	0.89	124	empty
2	1114	0.84	0.85	128	empty
3	966	0.83	0.85	88	AGS
4	760	0.83	0.86	91	empty
5	727	0.82	0.86	94	empty

Interfaces

15 interfaces between chains.

E–D · 4572 Å² buried · 84 hydrogen bonds · protein-protein
C–B · 4542 Å² buried · 87 hydrogen bonds · protein-protein
C–D · 4405 Å² buried · 87 hydrogen bonds · protein-protein
B–A · 4362 Å² buried · 87 hydrogen bonds · protein-protein
F–E · 2247 Å² buried · 26 hydrogen bonds · protein-protein

Compared structures

6OAX · Structure of the hyperactive ClpB mutant K476C, bound to casein, pre-state · the same entry in another collection · chain P against P, 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
Elsewhere: RCSB PDB 6OAX · PDBe 6OAX

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