MolNFT v1 · #86433 · protein

Crystal structure RAP2B (SMA2266) from serratia marcescens

4B6I: “Crystal structure RAP2B (SMA2266) from serratia marcescens”. X-ray diffraction, 6 pockets (best druggability 0.64). MolNFT v1 #86433 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4B6I
Type: protein
Length: 404 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SMA2266
Pockets: 6 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	SMA2266	protein	100	74% helix, 0% strand	—
C, D	SMA2266	protein	102	72% helix, 0% strand	—

Pockets

6 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	368	0.64	0.79	41	empty
2	58	0.46	0.84	18	empty
3	98	0.39	0.76	17	empty
4	71	0.34	0.76	18	empty
5	50	0.26	0.74	14	empty

Interfaces

4 interfaces between chains.

A–D · 1411 Å² buried · 28 hydrogen bonds · protein-protein
B–C · 1373 Å² buried · 27 hydrogen bonds · protein-protein
C–D · 578 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 65 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4B6I · Crystal structure Rap2b (SMA2266) from Serratia marcescens · 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
Elsewhere: RCSB PDB 4B6I · PDBe 4B6I

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