MolNFT v1 · #166213 · protein

X-ray crystal structure of chromium-transferrin with synergistic anion malonate

6UJ6: “X-ray crystal structure of chromium-transferrin with synergistic anion malonate”. X-ray diffraction, 2 ligands (BCT, CR), 6 pockets (best druggability 0.80). MolNFT v1 #166213 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6UJ6
Type: protein
Length: 652 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transferrin
UniProt: Q06AH7
Ligands: BCT, CR
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transferrin	protein	652	36% helix, 18% strand	Q06AH7

Ligands and binding sites

BCT · Bicarbonate ion · ligand · chains A
CR · Chromium ion · metal · chains A
GOL · Glycerol · additive · 2 copies · chains A
MLI · Malonate ion · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	842	0.80	0.83	86	MLI, BCT
2	670	0.76	0.82	75	GOL
3	80	0.47	0.81	13	empty
4	194	0.47	0.75	36	empty
5	81	0.35	0.76	15	empty

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

6UJ6 · X-ray Crystal Structure of Chromium-transferrin with Synergistic Anion Malonate · 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 Q06AH7
Elsewhere: RCSB PDB 6UJ6 · PDBe 6UJ6 · UniProt Q06AH7

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