MolNFT v1 · #109807 · protein

Crystal structure of SCC4 in complex with SCC2N

4XDN · MAU2 chromatid cohesion factor homolog: “Crystal structure of SCC4 in complex with SCC2N”. X-ray diffraction, 1 ligand (SO4), 16 pockets (best druggability 0.76). MolNFT v1 #109807 on GenesisL1: 3D structure, binding sites and…

PDB: 4XDN
Type: protein
Length: 726 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MAU2 chromatid cohesion factor homolog; Sister chromatid cohesion protein 2
UniProt: P40090, Q04002
Ligands: SO4
Pockets: 16 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MAU2 chromatid cohesion factor homolog	protein	604	75% helix, 3% strand	P40090
B	Sister chromatid cohesion protein 2	protein	122	21% helix, 10% strand	Q04002

Ligands and binding sites

SO4 · Sulfate ion · ion · 5 copies · chains A

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

Pockets

16 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	764	0.76	0.81	61	empty
2	109	0.51	0.82	29	empty
3	112	0.49	0.80	22	empty
4	67	0.48	0.84	13	empty
5	52	0.45	0.85	14	empty

Interfaces

1 interface between chains.

A–B · 6256 Å² buried · 77 hydrogen bonds · protein-protein

Compared structures

4XDN · Crystal structure of Scc4 in complex with Scc2n · the same entry in another collection · chain A against A, TM-score 1.00
P40090 · AlphaFold monomer V2.0 prediction for MAU2 chromatid cohesion factor homolog (P40090) · a predicted model of the same protein · chain A against A, TM-score 0.98
Q04002 · AlphaFold monomer V2.0 prediction for sister chromatid cohesion protein 2 (Q04002) · a predicted model of the same protein · chain B against A, TM-score 0.43

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 P40090
Every structure of UniProt Q04002
Elsewhere: RCSB PDB 4XDN · PDBe 4XDN · UniProt P40090 · UniProt Q04002

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