MolNFT v1 · #165136 · protein

Crystal structure of eremococcus coleocola manganese transporter in complex with an aromatic bis-isothiourea substituted compound

6TL2 · Divalent metal cation transporter mnth: “Crystal structure of eremococcus coleocola manganese transporter in complex with an aromatic bis-isothiourea…”. X-ray diffraction, 1 ligand (NJZ), 6 pockets (best druggability 0.74). MolNFT…

PDB: 6TL2
Type: protein
Length: 494 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Divalent metal cation transporter mnth
UniProt: E4KPW4
Ligands: NJZ
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Divalent metal cation transporter mnth	protein	494	77% helix, 1% strand	E4KPW4

Ligands and binding sites

NJZ · [3-bromanyl-5-(carbamimidoylsulfanylmethyl) phenyl]methyl carbamimidothioate · ligand · chains A

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

Pockets

6 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	604	0.74	0.81	61	NJZ
2	87	0.57	0.86	25	empty
3	84	0.55	0.86	17	empty
4	87	0.36	0.75	16	empty
5	85	0.35	0.74	18	empty

Compared structures

6TL2 · Crystal structure of Eremococcus coleocola manganese transporter in complex with an… · 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 E4KPW4
Elsewhere: RCSB PDB 6TL2 · PDBe 6TL2 · UniProt E4KPW4

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