MolNFT v1 · #108118 · protein

Cohesin SMC3-HD:SCC1-N complex from yeast

4UX3 · Structural maintenance of chromosomes protein 3: “Cohesin SMC3-HD:SCC1-N complex from yeast”. X-ray diffraction, 2 ligands (AGS, MG), 9 pockets (best druggability 0.74). MolNFT v1 #108118 on GenesisL1: 3D structure, binding sites…

PDB: 4UX3
Type: protein
Length: 507 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Structural maintenance of chromosomes protein 3; Mitotic chromosome determinant-related…
UniProt: P47037, A6ZXW3
Ligands: AGS, MG
Pockets: 9 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Structural maintenance of chromosomes protein 3	protein	436	52% helix, 13% strand	P47037
B	Mitotic chromosome determinant-related protein	protein	71	61% helix, 0% strand	A6ZXW3

Ligands and binding sites

AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	401	0.74	0.84	61	empty
2	69	0.71	0.95	18	empty
3	344	0.58	0.76	40	empty
4	83	0.53	0.85	18	empty
5	220	0.49	0.75	23	empty

Interfaces

1 interface between chains.

A–B · 1764 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4UX3 · cohesin Smc3-HD:Scc1-N complex from yeast · the same entry in another collection · chain A against A, TM-score 1.00
P47037 · AlphaFold monomer V2.0 prediction for structural maintenance of chromosomes protein 3… · a predicted model of the same protein · chain A against A, TM-score 0.79

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 P47037
Every structure of UniProt A6ZXW3
Elsewhere: RCSB PDB 4UX3 · PDBe 4UX3 · UniProt P47037 · UniProt A6ZXW3

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