MolNFT v1 · #87473 · protein

Crystal structure of the ctpb R168A mutant present in an active conformation

4C2F · Carboxy-terminal processing protease ctpb: “Crystal structure of the ctpb R168A mutant present in an active conformation”. X-ray diffraction, 6 pockets (best druggability 0.70). MolNFT v1 #87473 on GenesisL1: 3D structure, binding…

PDB: 4C2F
Type: protein
Length: 443 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carboxy-terminal processing protease ctpb; PEPTIDE1; PEPTIDE2
EC: 3.4.21.102
UniProt: O35002
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Carboxy-terminal processing protease ctpb (EC 3.4.21.102)	protein	433	32% helix, 24% strand	O35002
B	PEPTIDE1	protein	3	0% helix, 33% strand	—
C	PEPTIDE2	protein	7	0% helix, 14% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	764	0.70	0.76	77	empty
2	107	0.44	0.78	14	empty
3	93	0.35	0.74	13	empty
4	61	0.34	0.77	18	empty
5	65	0.31	0.75	15	empty

Interfaces

2 interfaces between chains.

A–C · 491 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 258 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

4C2F · Crystal structure of the CtpB R168A mutant present in an active conformation · the same entry in another collection · chain A against A, TM-score 1.00
O35002 · AlphaFold monomer V2.0 prediction for carboxy-terminal processing protease ctpb (O35002) · a predicted model of the same protein · chain A against A, TM-score 0.79

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 O35002
Elsewhere: RCSB PDB 4C2F · PDBe 4C2F · UniProt O35002

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