MolNFT v1 · #39522 · protein

Crystal structure of protein ATU1540 from agrobacterium tumefaciens

2HWJ · Hypothetical protein ATU1540: “Crystal structure of protein ATU1540 from agrobacterium tumefaciens”. X-ray diffraction, 13 pockets (best druggability 0.79). MolNFT v1 #39522 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2HWJ
Type: protein
Length: 1,151 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein ATU1540
UniProt: Q8UF59
Pockets: 13 · best druggability 0.79

Structure

x-ray diffraction · 6 distinct chains · 43% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein ATU1540	protein	196	42% helix, 17% strand	Q8UF59
B	Hypothetical protein ATU1540	protein	189	44% helix, 16% strand	Q8UF59
C	Hypothetical protein ATU1540	protein	195	43% helix, 17% strand	Q8UF59
D	Hypothetical protein ATU1540	protein	193	39% helix, 17% strand	Q8UF59
E	Hypothetical protein ATU1540	protein	188	45% helix, 16% strand	Q8UF59
F	Hypothetical protein ATU1540	protein	190	44% helix, 17% strand	Q8UF59

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	741	0.79	0.83	94	empty
2	661	0.76	0.82	85	empty
3	577	0.70	0.79	31	empty
4	160	0.69	0.88	25	empty
5	796	0.68	0.75	72	empty

Interfaces

8 interfaces between chains.

E–F · 1167 Å² buried · 26 hydrogen bonds · protein-protein
C–D · 1074 Å² buried · 16 hydrogen bonds · protein-protein
A–B · 1072 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 983 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 644 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 modified, 2 disulfide (engineered, disulfide).

Compared structures

2HWJ · Crystal structure of protein Atu1540 from Agrobacterium tumefaciens · 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 Q8UF59
Elsewhere: RCSB PDB 2HWJ · PDBe 2HWJ · UniProt Q8UF59

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