MolNFT v1 · #55966 · protein

Crystal structure of hypothetical protein TTHA0547

2Z0R · Putative uncharacterized protein TTHA0547: “Crystal structure of hypothetical protein TTHA0547”. X-ray diffraction, 2 ligands (CL, SO4), 20 pockets (best druggability 0.81). MolNFT v1 #55966 on GenesisL1: 3D structure, binding sites…

PDB: 2Z0R
Type: protein
Length: 1,181 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein TTHA0547
UniProt: Q5SKU6
Ligands: CL, SO4
Pockets: 20 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 31% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D, H, J	Putative uncharacterized protein TTHA0547	protein	97	31% helix, 30% strand	Q5SKU6
B, L	Putative uncharacterized protein TTHA0547	protein	100	32% helix, 30% strand	Q5SKU6
C, E, G	Putative uncharacterized protein TTHA0547	protein	98	32% helix, 30% strand	Q5SKU6
F	Putative uncharacterized protein TTHA0547	protein	99	33% helix, 30% strand	Q5SKU6
I	Putative uncharacterized protein TTHA0547	protein	101	29% helix, 30% strand	Q5SKU6
K	Putative uncharacterized protein TTHA0547	protein	99	30% helix, 28% strand	Q5SKU6

Ligands and binding sites

CL · Chloride ion · ion · 11 copies · chains A, F, C, E, I, K, G, B, D
SO4 · Sulfate ion · ion · 8 copies · chains A, F, E, I, G, D, K, L

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	144	0.81	0.97	28	empty
2	139	0.81	0.97	26	empty
3	157	0.81	0.96	35	empty
4	142	0.80	0.96	26	empty
5	146	0.80	0.96	32	empty

Interfaces

25 interfaces between chains.

G–H · 1048 Å² buried · 16 hydrogen bonds · protein-protein
K–L · 1045 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 1016 Å² buried · 20 hydrogen bonds · protein-protein
C–D · 1011 Å² buried · 19 hydrogen bonds · protein-protein
I–J · 970 Å² buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 modified (engineered).

Compared structures

2Z0R · Crystal structure of hypothetical protein TTHA0547 · 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 Q5SKU6
Elsewhere: RCSB PDB 2Z0R · PDBe 2Z0R · UniProt Q5SKU6

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