MolNFT v1 · #104450 · protein

1.58 a resolution structure of CT263 (mtan) from chlamydia trachomatis

4QAQ: “1.58 a resolution structure of CT263 (mtan) from chlamydia trachomatis”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.75). MolNFT v1 #104450 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4QAQ
Type: protein
Length: 383 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CT263
UniProt: B0B7H9
Ligands: SO4
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CT263	protein	195	24% helix, 34% strand	B0B7H9
B	CT263	protein	188	27% helix, 34% strand	B0B7H9

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

3 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	740	0.75	0.80	74	SO4
2	184	0.55	0.80	28	empty
3	50	0.35	0.79	10	empty

Interfaces

1 interface between chains.

A–B · 696 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4QAQ · 1.58 A resolution structure of CT263 (MTAN) from Chlamydia trachomatis · 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 B0B7H9
Elsewhere: RCSB PDB 4QAQ · PDBe 4QAQ · UniProt B0B7H9

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