MolNFT v1 · #151843 · protein

Apo structure of tp domain from haemophilus influenzae penicillin- binding protein 3

6HZO · Ftsi: “Apo structure of tp domain from haemophilus influenzae penicillin- binding protein 3”. X-ray diffraction, 8 pockets (best druggability 0.72). MolNFT v1 #151843 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6HZO
Type: protein
Length: 1,137 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ftsi
Pockets: 8 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Ftsi	protein	285	39% helix, 22% strand	—
B	Ftsi	protein	283	37% helix, 22% strand	—
C	Ftsi	protein	284	38% helix, 23% strand	—

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	819	0.72	0.77	81	empty
2	700	0.69	0.77	52	empty
3	190	0.52	0.78	30	empty
4	236	0.51	0.76	40	empty
5	188	0.47	0.75	32	empty

Interfaces

4 interfaces between chains.

A–C · 311 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 296 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 246 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 164 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6HZO · Apo structure of TP domain from Haemophilus influenzae Penicillin-Binding Protein 3 · 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 6HZO · PDBe 6HZO

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