MolNFT v1 · #27871 · protein

Crystal structure of the coliphage lambda transcription activator protein cii

1XWR · Regulatory protein cii: “Crystal structure of the coliphage lambda transcription activator protein cii”. X-ray diffraction, 2 pockets (best druggability 0.63). MolNFT v1 #27871 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1XWR
Type: protein
Length: 309 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Regulatory protein cii
UniProt: P03042
Pockets: 2 · best druggability 0.63

Structure

x-ray diffraction · 3 distinct chains · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Regulatory protein cii	protein	79	78% helix, 0% strand	P03042
B, D	Regulatory protein cii	protein	77	83% helix, 0% strand	P03042
C	Regulatory protein cii	protein	76	79% helix, 0% strand	P03042

Ligands and binding sites

IPA · Isopropyl alcohol · additive · 3 copies · chains B, A, D

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

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	434	0.63	0.77	53	empty
2	91	0.47	0.81	16	IPA

Interfaces

6 interfaces between chains.

A–B · 1400 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 1317 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 452 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 249 Å² buried · 0 hydrogen bonds · protein-protein
A–C · 205 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1XWR · Crystal structure of the coliphage lambda transcription activator protein CII · 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 P03042
Elsewhere: RCSB PDB 1XWR · PDBe 1XWR · UniProt P03042

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