MolNFT v1 · #114538 · protein

Crystal structure of Y36A mutant of human macrophage migration inhibitory factor

5BSI: “Crystal structure of Y36A mutant of human macrophage migration inhibitory factor”. X-ray diffraction, 1 ligand (SO4), 13 pockets (best druggability 0.83). MolNFT v1 #114538 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5BSI
Type: protein
Length: 912 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Macrophage migration inhibitory factor
EC: 5.3.2.1, 5.3.3.12
UniProt: P14174
Ligands: SO4
Pockets: 13 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, J	Macrophage migration inhibitory factor (EC 5.3.2.1, 5.3.3.12)	protein	114	39% helix, 31% strand	P14174

Ligands and binding sites

SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D, E, F, G, J
GOL · Glycerol · additive · 6 copies · chains A, B, C, D, E, F

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

Pockets

13 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	470	0.83	0.90	47	empty
2	495	0.82	0.89	50	empty
3	249	0.60	0.80	35	GOL
4	268	0.60	0.79	35	GOL
5	137	0.60	0.84	24	empty

Interfaces

14 interfaces between chains.

E–F · 1123 Å² buried · 16 hydrogen bonds · protein-protein
D–F · 1121 Å² buried · 17 hydrogen bonds · protein-protein
D–E · 1121 Å² buried · 17 hydrogen bonds · protein-protein
A–C · 1111 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 1110 Å² buried · 17 hydrogen bonds · protein-protein

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 P14174
Elsewhere: RCSB PDB 5BSI · PDBe 5BSI · UniProt P14174

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.