8X8I | pdb_00008x8i

The structure of AbBioc in complex with SAM cofactor

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.54 Å
  • R-Value Free: 
    0.287 (Depositor), 0.284 (DCC) 
  • R-Value Work: 
    0.236 (Depositor), 0.237 (DCC) 
  • R-Value Observed: 
    0.239 (Depositor) 

Starting Model: in silico
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wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted SAMClick on this verticalbar to view details

This is version 1.0 of the entry. See complete history. 


Literature

A bacterial methyltransferase that initiates biotin synthesis, an attractive anti-ESKAPE druggable pathway.

Su, Z., Zhang, W.Z., Shi, Y., Cui, T., Xu, Y.C., Yang, R.S., Huang, M., Zhou, C., Zhang, H.M., Lu, T., Qu, J.X., He, Z.G., Gan, J., Feng, Y.J.

(2024) Sci Adv 


Macromolecules
Find similar proteins by: 
(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Malonyl-[acyl-carrier protein] O-methyltransferase
A, B, C, D
249Acinetobacter baumanniiMutation(s): 0 
Gene Names: bioC
EC: 2.1.1.197
UniProt
Find proteins for A0A1E3M3A7 (Acinetobacter baumannii)
Explore A0A1E3M3A7 
Go to UniProtKB:  A0A1E3M3A7
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA0A1E3M3A7
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.54 Å
  • R-Value Free:  0.287 (Depositor), 0.284 (DCC) 
  • R-Value Work:  0.236 (Depositor), 0.237 (DCC) 
  • R-Value Observed: 0.239 (Depositor) 
Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 71.055α = 90
b = 57.23β = 101.72
c = 143.671γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
autoPROCdata reduction
Aimlessdata scaling
PHASERphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted SAMClick on this verticalbar to view details

View more in-depth experimental data
Entry History & Funding Information

Deposition Data

Funding OrganizationLocationGrant Number
National Key Reserch & Development Program of ChinaChina2023YFC2307100

Revision History  (Full details and data files)

  • Version 1.0: 2024-11-13
    Type: Initial release