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Crystal structure of the TOLB(P201C)-COLICINE9 tbe PEPTIDE(A33C) complex.

Analyse Crystal structure of the TOLB(P201C)-COLICINE9 tbe PEPTIDE(A33C) complex. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4JML
Type: protein
Length: 410 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein tolb; Colicin-E9
EC: 3.1.-.-
UniProt: C9R0N0, P09883
Ligands: CA
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 42% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein tolb	protein	394	12% helix, 43% strand	C9R0N0
E	Colicin-E9 (EC 3.1.-.-)	protein	16	0% helix, 0% strand	P09883

Ligands and binding sites

CA · Calcium ion · metal · chains A

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

Pockets

3 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	422	0.80	0.89	39	CA
2	84	0.41	0.79	18	empty
3	70	0.30	0.73	17	empty

Interfaces

1 interface between chains.

A–E · 702 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4JML · Crystal structure of the TolB(P201C)-ColicinE9 TBE peptide(A33C) complex. · the same entry in another collection · chain A against A, TM-score 1.00
P09883 · AlphaFold monomer V2.0 prediction for colicin-E9 (P09883) · a predicted model of the same protein · chain E against A, TM-score 0.23

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 C9R0N0
Every structure of UniProt P09883
Elsewhere: RCSB PDB 4JML · PDBe 4JML · UniProt C9R0N0 · UniProt P09883

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