6SC8

dAb3/HOIP-RBR-Ligand4


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.106 Å
  • R-Value Free: 0.261 
  • R-Value Work: 0.219 

wwPDB Validation 3D Report Full Report


This is version 1.0 of the entry. See complete history

Literature

dAb3/HOIP-RBR apo structure

Tsai, Y.-C.I.House, D.Rittinger, K.

(2019) Cell Chem Biol --: --


Macromolecules

Find similar proteins by: Sequence  |  Structure

Entity ID: 1
MoleculeChainsSequence LengthOrganismDetails
E3 ubiquitin-protein ligase RNF31
A
376Homo sapiensMutation(s): 0 
Gene Names: RNF31 (ZIBRA)
EC: 2.3.2.31
Find proteins for Q96EP0 (Homo sapiens)
Go to Gene View: RNF31
Go to UniProtKB:  Q96EP0
Entity ID: 2
MoleculeChainsSequence LengthOrganismDetails
Single domain antibody
B, C
120N/AMutation(s): 0 
Protein Feature View is not available: No corresponding UniProt sequence found.
Small Molecules
Ligands 4 Unique
IDChainsName / Formula / InChI Key2D Diagram3D Interactions
ZN
Query on ZN

Download SDF File 
Download CCD File 
A
ZINC ION
Zn
PTFCDOFLOPIGGS-UHFFFAOYSA-N
 Ligand Interaction
SO4
Query on SO4

Download SDF File 
Download CCD File 
A, B
SULFATE ION
O4 S
QAOWNCQODCNURD-UHFFFAOYSA-L
 Ligand Interaction
CL
Query on CL

Download SDF File 
Download CCD File 
A, B
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
 Ligand Interaction
L6E
Query on L6E

Download SDF File 
Download CCD File 
A
[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
C17 H21 N3 O5
TVQYRIKRPWLBEA-QPJJXVBHSA-N
 Ligand Interaction
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.106 Å
  • R-Value Free: 0.261 
  • R-Value Work: 0.219 
  • Space Group: I 2 2 2
Unit Cell:
Length (Å)Angle (°)
a = 65.919α = 90.00
b = 87.770β = 90.00
c = 241.831γ = 90.00
Software Package:
Software NamePurpose
PHENIXrefinement
AutoPROCdata scaling
xia2data reduction
PHENIXphasing

Structure Validation

View Full Validation Report or Ramachandran Plots



Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
The Francis Crick InstituteUnited Kingdom--

Revision History 

  • Version 1.0: 2019-11-27
    Type: Initial release