MolNFT v1 · #108120 · protein + DNA

Structure of DNA complex of PCG2

4UX5 · Transcription factor MBP1: “Structure of DNA complex of PCG2”. X-ray diffraction, 2 pockets (best druggability 0.55). MolNFT v1 #108120 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UX5
Type: protein + DNA
Length: 254 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcription factor MBP1; 5'-D(*CP*AP*AP*TP*GP*AP*CP*GP*CP*GP*TP*AP*AP*GP)-3'…
UniProt: G4NA99
Pockets: 2 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Transcription factor MBP1	protein	113	34% helix, 27% strand	G4NA99
C	5'-D(CPAPAPTPGPAPCPGPCPGPTPAPAPGP)-3'	dna	14	—	—
D	5'-D(CPTPTPAPCPGPCPGPTPCPAPTPTPGP)-3'	dna	14	—	—

Pockets

2 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	305	0.55	0.76	30	empty
2	208	0.47	0.75	21	empty

Interfaces

6 interfaces between chains.

C–D · 654 Å² buried · 65 hydrogen bonds · nucleic-nucleic
A–C · 559 Å² buried · 17 hydrogen bonds · protein-nucleic
B–D · 396 Å² buried · 5 hydrogen bonds · protein-nucleic
B–C · 369 Å² buried · 4 hydrogen bonds · protein-nucleic
A–D · 343 Å² buried · 9 hydrogen bonds · protein-nucleic

Compared structures

4UX5 · Structure of DNA complex of PCG2 · the same entry in another collection · chain A against A, 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 G4NA99
Elsewhere: RCSB PDB 4UX5 · PDBe 4UX5 · UniProt G4NA99

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