MolNFT v1 · #109600 · protein

Crystal structure of apo S. aureus tarm

4X7P: “Crystal structure of apo S. aureus tarm”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.81). MolNFT v1 #109600 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4X7P
Type: protein
Length: 986 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tarm
UniProt: H0AM96
Ligands: SO4
Pockets: 8 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tarm	protein	493	36% helix, 27% strand	H0AM96

Ligands and binding sites

SO4 · Sulfate ion · ion · 16 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	958	0.81	0.82	76	empty
2	960	0.75	0.78	71	empty
3	887	0.74	0.78	68	empty
4	96	0.44	0.79	17	empty
5	50	0.37	0.81	14	empty

Interfaces

1 interface between chains.

A–B · 761 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4X7P · Crystal structure of apo S. aureus TarM · 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 H0AM96
Elsewhere: RCSB PDB 4X7P · PDBe 4X7P · UniProt H0AM96

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