MolNFT v1 · #138125 · protein

Crystal structure of SCC4 in complex with SCC2N and CTF19N

5W94 · MAU2 chromatid cohesion factor homolog: “Crystal structure of SCC4 in complex with SCC2N and CTF19N”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #138125 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5W94
Type: protein
Length: 1,454 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MAU2 chromatid cohesion factor homolog; Sister chromatid cohesion protein 2; CTF19N
UniProt: P40090, Q04002
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 64% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MAU2 chromatid cohesion factor homolog	protein	617	73% helix, 2% strand	P40090
B	Sister chromatid cohesion protein 2	protein	114	17% helix, 8% strand	Q04002
C	MAU2 chromatid cohesion factor homolog	protein	605	74% helix, 2% strand	P40090
D	Sister chromatid cohesion protein 2	protein	110	12% helix, 10% strand	Q04002
E, H	CTF19N	protein	4	0% helix, 0% strand	—

Pockets

20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1023	0.78	0.80	110	empty
2	1195	0.76	0.78	110	empty
3	120	0.57	0.84	17	empty
4	129	0.56	0.83	18	empty
5	178	0.50	0.77	28	empty

Interfaces

4 interfaces between chains.

A–B · 6189 Å² buried · 84 hydrogen bonds · protein-protein
C–D · 5972 Å² buried · 63 hydrogen bonds · protein-protein
A–E · 328 Å² buried · 4 hydrogen bonds · protein-protein
C–H · 244 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

5W94 · Crystal structure of Scc4 in complex with Scc2n and Ctf19n · the same entry in another collection · chain H against H, 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 C 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 D against A, TM-score 0.47

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 5W94 · PDBe 5W94 · UniProt P40090 · UniProt Q04002

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