MolNFT v1 · #106058 · protein

Pcpr inducer binding domain (apo-form)

4RNS · Pcp degradation transcriptional activation protein: “Pcpr inducer binding domain (apo-form)”. X-ray diffraction, 14 pockets (best druggability 0.76). MolNFT v1 #106058 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4RNS
Type: protein
Length: 861 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pcp degradation transcriptional activation protein
UniProt: P52679
Pockets: 14 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pcp degradation transcriptional activation protein	protein	214	38% helix, 26% strand	P52679
B	Pcp degradation transcriptional activation protein	protein	213	37% helix, 27% strand	P52679
C, D	Pcp degradation transcriptional activation protein	protein	217	39% helix, 26% strand	P52679

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	115	0.76	0.95	32	empty
2	73	0.75	0.98	19	empty
3	70	0.74	0.98	19	empty
4	112	0.74	0.95	33	empty
5	64	0.72	0.97	19	empty

Interfaces

4 interfaces between chains.

C–D · 2126 Å² buried · 31 hydrogen bonds · protein-protein
A–B · 2037 Å² buried · 33 hydrogen bonds · protein-protein
A–D · 488 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 46 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4RNS · PcpR inducer binding domain (apo-form) · the same entry in another collection · chain C against C, TM-score 1.00
P52679 · AlphaFold monomer V2.0 prediction for pcp degradation transcriptional activation protein… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P52679
Elsewhere: RCSB PDB 4RNS · PDBe 4RNS · UniProt P52679

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