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Crystal structure of ehec O157:H7 intimin

Analyse Crystal structure of ehec O157:H7 intimin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3NCW
Type: protein
Length: 732 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Intimin adherence protein
UniProt: C6UYL6
Pockets: 5 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Intimin adherence protein	protein	183	14% helix, 36% strand	C6UYL6

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	351	0.53	0.74	51	empty
2	256	0.53	0.76	29	empty
3	142	0.43	0.76	27	empty
4	169	0.39	0.72	28	empty
5	51	0.30	0.75	11	empty

Interfaces

4 interfaces between chains.

B–D · 538 Å² buried · 15 hydrogen bonds · protein-protein
A–D · 272 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 245 Å² buried · 1 hydrogen bond · protein-protein
C–D · 33 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

3NCW · Crystal structure of EHEC O157:H7 intimin · 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
Every structure of UniProt C6UYL6
Elsewhere: RCSB PDB 3NCW · PDBe 3NCW · UniProt C6UYL6

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