MolNFT v1 · #103555 · protein

Crystal structure of human stromal antigen 2 (SA2) in complex with sister chromatid cohesion protein 1 (SCC1) with bound mes, native proteins

4PK7 · Cohesin subunit sa-2: “Crystal structure of human stromal antigen 2 (SA2) in complex with sister chromatid cohesion protein 1 (SCC1)…”. X-ray diffraction, 9 pockets (best druggability 0.77). MolNFT v1 #103555 on GenesisL1: 3D…

PDB: 4PK7
Type: protein
Length: 979 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cohesin subunit sa-2; Double-strand-break repair protein RAD21 homolog
UniProt: Q8N3U4, O60216
Pockets: 9 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 70% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cohesin subunit sa-2	protein	903	72% helix, 0% strand	Q8N3U4
B	Double-strand-break repair protein RAD21 homolog	protein	76	43% helix, 5% strand	O60216

Ligands and binding sites

MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B

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

Pockets

9 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	932	0.77	0.79	77	empty
2	99	0.53	0.83	23	empty
3	76	0.36	0.76	22	empty
4	64	0.35	0.77	15	empty
5	65	0.35	0.77	17	empty

Interfaces

1 interface between chains.

A–B · 3707 Å² buried · 48 hydrogen bonds · protein-protein

Compared structures

4PK7 · crystal structure of human Stromal Antigen 2 (SA2) in complex with Sister Chromatid… · the same entry in another collection · chain A against A, TM-score 1.00
Q8N3U4 · AlphaFold monomer V2.0 prediction for cohesin subunit sa-2 (Q8N3U4) · a predicted model of the same protein · chain A against A, TM-score 0.99
O60216 · AlphaFold monomer V2.0 prediction for double-strand-break repair protein RAD21 homolog… · a predicted model of the same protein · chain B against A, TM-score 0.85

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 Q8N3U4
Every structure of UniProt O60216
Elsewhere: RCSB PDB 4PK7 · PDBe 4PK7 · UniProt Q8N3U4 · UniProt O60216

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