MolNFT v1 · #142685 · protein

Crystal structure of mycobacterium smegmatis mfd at 2.75 a resolution

6AC8: “Crystal structure of mycobacterium smegmatis mfd at 2.75 a resolution”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.83). MolNFT v1 #142685 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6AC8
Type: protein
Length: 2,345 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mycobacterium smegmatis mfd
EC: 3.6.4.-
UniProt: I7G7M2
Ligands: SO4
Pockets: 20 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mycobacterium smegmatis mfd (EC 3.6.4.-)	protein	1171	40% helix, 18% strand	I7G7M2
B	Mycobacterium smegmatis mfd (EC 3.6.4.-)	protein	1174	40% helix, 18% strand	I7G7M2

Ligands and binding sites

SO4 · Sulfate ion · ion · 11 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	685	0.83	0.87	92	SO4
2	935	0.82	0.84	109	SO4
3	137	0.74	0.92	30	empty
4	246	0.72	0.86	30	empty
5	946	0.71	0.76	66	SO4

Interfaces

1 interface between chains.

A–B · 805 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6AC8 · Crystal structure of Mycobacterium smegmatis Mfd at 2.75 A resolution · 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 I7G7M2
Elsewhere: RCSB PDB 6AC8 · PDBe 6AC8 · UniProt I7G7M2

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