MolNFT v1 · #121085 · protein

Crystal structure of cdi complex from escherichia COLI STEC_O31

5HKQ · Contact-dependent inhibitor a: “Crystal structure of cdi complex from escherichia COLI STEC_O31”. X-ray diffraction, 3 pockets (best druggability 0.45). MolNFT v1 #121085 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5HKQ
Type: protein
Length: 263 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Contact-dependent inhibitor a; Cdii immunity protein
Pockets: 3 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Contact-dependent inhibitor a	protein	143	22% helix, 44% strand	—
I	Cdii immunity protein	protein	120	48% helix, 13% strand	—

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	70	0.45	0.82	22	empty
2	86	0.37	0.77	24	empty
3	59	0.32	0.76	13	empty

Interfaces

1 interface between chains.

A–I · 1763 Å² buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

5HKQ · Crystal structure of CDI complex from Escherichia coli STEC_O31 · the same entry in another collection · chain A against A, 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 5HKQ · PDBe 5HKQ

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