MolNFT v1 · #114996 · protein

Mcl-1 complexed with mule

5C6H · Induced myeloid leukemia cell differentiation protein mcl- 1: “Mcl-1 complexed with mule”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT v1 #114996 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5C6H
Type: protein
Length: 2,151 residues
Chains: 24
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Induced myeloid leukemia cell differentiation protein mcl- 1; Mule BH3 peptide from E3…
UniProt: Q07820, Q7Z6Z7
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 8 distinct chains · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, I, M, O	Induced myeloid leukemia cell differentiation protein mcl- 1	protein	155	74% helix, 0% strand	Q07820
B, X	Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1	protein	25	64% helix, 0% strand	Q7Z6Z7
D, F, H, L, N, P, T	Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1	protein	26	73% helix, 0% strand	Q7Z6Z7
E, G, Q, S	Induced myeloid leukemia cell differentiation protein mcl- 1	protein	154	75% helix, 0% strand	Q07820
J, R	Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1	protein	24	63% helix, 0% strand	Q7Z6Z7
K, W	Induced myeloid leukemia cell differentiation protein mcl- 1	protein	153	77% helix, 0% strand	Q07820
U	Induced myeloid leukemia cell differentiation protein mcl- 1	protein	151	78% helix, 0% strand	Q07820
V	Mule BH3 peptide from E3 ubiquitin-protein ligase HUWE1	protein	23	70% helix, 0% strand	Q7Z6Z7

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1139	0.80	0.82	129	empty
2	514	0.74	0.82	71	empty
3	1140	0.74	0.77	87	empty
4	815	0.72	0.77	93	empty
5	672	0.70	0.78	72	empty

Interfaces

57 interfaces between chains.

M–N · 1082 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 1078 Å² buried · 7 hydrogen bonds · protein-protein
Q–R · 1067 Å² buried · 6 hydrogen bonds · protein-protein
I–J · 1066 Å² buried · 5 hydrogen bonds · protein-protein
E–F · 1063 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

5C6H · Mcl-1 complexed with Mule · 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 Q07820
Every structure of UniProt Q7Z6Z7
Elsewhere: RCSB PDB 5C6H · PDBe 5C6H · UniProt Q07820 · UniProt Q7Z6Z7

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