MolNFT v1 · #104452 · protein

1.27 a resolution structure of CT263-D161N (mtan) from chlamydia trachomatis

4QAS: “1.27 a resolution structure of CT263-D161N (mtan) from chlamydia trachomatis”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.74). MolNFT v1 #104452 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4QAS
Type: protein
Length: 384 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 0.74

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CT263	protein	197	24% helix, 33% strand	B0B7H9
B	CT263	protein	187	27% helix, 34% strand	B0B7H9

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A

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	609	0.74	0.81	72	empty
2	183	0.56	0.80	26	empty
3	68	0.28	0.72	22	empty

Interfaces

1 interface between chains.

A–B · 759 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4QAS · 1.27 A resolution structure of CT263-D161N (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 4QAS · PDBe 4QAS · UniProt B0B7H9

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