MolNFT v1 · #86489 · protein

Crystal structure of the MSL1-MSL2 complex (3.5A)

4B86 · Male-specific lethal 1 homolog: “Crystal structure of the MSL1-MSL2 complex (3.5A)”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.74). MolNFT v1 #86489 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4B86
Type: protein
Length: 888 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Male-specific lethal 1 homolog; Male-specific lethal 2 homolog
UniProt: Q68DK7, Q9HCI7
Ligands: ZN
Pockets: 7 · best druggability 0.74

Structure

x-ray diffraction · 10 distinct chains · 59% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Male-specific lethal 1 homolog	protein	47	96% helix, 0% strand	Q68DK7
B, E, F	Male-specific lethal 1 homolog	protein	51	94% helix, 0% strand	Q68DK7
C	Male-specific lethal 2 homolog	protein	115	46% helix, 6% strand	Q9HCI7
D	Male-specific lethal 2 homolog	protein	95	51% helix, 7% strand	Q9HCI7
G	Male-specific lethal 2 homolog	protein	106	46% helix, 5% strand	Q9HCI7
H	Male-specific lethal 2 homolog	protein	96	56% helix, 7% strand	Q9HCI7
I	Male-specific lethal 1 homolog	protein	35	94% helix, 0% strand	Q68DK7
J	Male-specific lethal 1 homolog	protein	33	94% helix, 0% strand	Q68DK7
K	Male-specific lethal 2 homolog	protein	96	50% helix, 7% strand	Q9HCI7
L	Male-specific lethal 2 homolog	protein	112	47% helix, 9% strand	Q9HCI7

Ligands and binding sites

ZN · Zinc ion · metal · 12 copies · chains C, D, G, H, K, L

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1015	0.74	0.77	83	empty
2	200	0.45	0.74	28	empty
3	171	0.44	0.75	21	empty
4	123	0.39	0.75	26	empty
5	101	0.39	0.76	21	empty

Interfaces

19 interfaces between chains.

E–F · 1410 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1377 Å² buried · 12 hydrogen bonds · protein-protein
I–J · 903 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 760 Å² buried · 6 hydrogen bonds · protein-protein
J–L · 754 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4B86 · Crystal structure of the MSL1-MSL2 complex (3.5A) · the same entry in another collection · chain L against L, 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 Q68DK7
Every structure of UniProt Q9HCI7
Elsewhere: RCSB PDB 4B86 · PDBe 4B86 · UniProt Q68DK7 · UniProt Q9HCI7

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