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Compound: B51
Formula: FE3 NI S4
Name(s):
  • nickel/iron/sulfur cluster
Experimental: PDB entry 3b51 | Residue X1003 | Resolution 1.40 Å | MSD | RCSB | EDS | PDBsum | PDBREPORT | OCA | JenaLib | MMDB
Also in: 2 other PDB entries, namely 3B52 | 3B53 |

WARNING - HETZE log file could not be created for this entity! Perhaps there are no covalently bonded atoms in this compound ?

Coordinates
PDB file (".pdb"; ideal coordinates for 8 atoms from MSDchem)
PDB file (".pdb"; experimental coordinates for 8 atoms from PDB entry 3b51)
PDB file (".txt"; ideal coordinates)
PDB file (".txt"; experimental coordinates)
Clean PDB file (".pdb"; no REMARKs; ATOM records; ideal coordinates; used for generating all derived data and dictionaries)
Clean PDB file (".txt"; no REMARKs; ATOM records; ideal coordinates; used for generating all derived data and dictionaries)

Visualisation
Jmol page
ChemScape Chime page
VRML file (gzip-ed)

Dictionaries
PDB dictionary file (CONECT records, etc.)
X-PLOR/CNS files could not be generated for this entity (XPLO2D log file)
O dictionary entry could not be generated
O RS_FIT datablock (not needed in O 9.0 or later)
O RSR datablock (not needed in O 9.0 or later)
O connectivity entry (not needed in O 9.0 or later)
O torsion entry could not be generated
TNT file could not be generated for this entity

Miscellaneous
Disclaimer
EDS statistics
HETZE log file could not be created
Connection table file
No superstructures found

Off-site
Action!
What?
Where?
Hit the link or button to visit the site or server
Description of what the site or server does or contains
Name and location of the site or server (links can be found in the main HIC-Up menu)
Validation
Compare all instances of "B51" in the PDB to the ideal structure ValLigURL (Uppsala University)
Go! View model and electron density for "B51 X1003" in PDB entry 3b51 (opens Java viewer) EDS (Uppsala University)
Go! Main EDS page for parent PDB entry 3b51 EDS (Uppsala University)
Description
Generate hydrogens and dictionaries (MDL, GROMOS87, GROMACS, REFMAC5, SYBYL2, AUTODOCK, WHAT IF, HEX, CNS, O, and SHELX) for "B51" using the clean PDB file as input PRODRG2 server (University of Dundee)
Go! Ligand chemistry for "B51" in MSDchem MSD (EBI)
Go! Ligand chemistry for "B51" from MSDchem in XML format MSD (EBI)
Go! Information about "B51" in ChEBI ChEBI (EBI)
Run Babel to convert the clean PDB file of "B51" to canonical SMILES and other formats ChemDB (UC Irvine)
Go! Ligand chemistry for B51 in MSDchem@RCSB MSDchem@RCSB (Rutgers)
Go! CIF dictionary for "B51" Ligand Depot (Rutgers)
PDB entries
Go! List of all PDB entries containing "B51" from MSDmotif MSD (EBI)
Go! List of unique PDB entries containing "B51" from MSDmotif MSD (EBI)
Go! Download all instances of "B51" in the PDB including their environment (tar-file) MSD (EBI)
Go! List of PDB entries containing "B51" PDBsum (EBI)
Go! List of PDB entries containing "B51" RCSB
Go! List of PDB entries containing "B51" Ligand Depot (Rutgers)
Go! List of PDB entries containing "B51" DHC JenaLib (Fritz Lipmann Institute)
Go! List of PDB entries containing "B51" OCA (Weizmann Institute)
Structural biology
Go! List PDB entries for which "B51" is a cognate ligand PROCOGNATE (EBI)
Go! Statistics about protein residues that interact with "B51" from MSDmotif MSD (EBI)
Go! Statistics about nucleic acid residues that interact with "B51" from MSDmotif MSD (EBI)
Go! Statistics about other ligands that interact with "B51" from MSDmotif MSD (EBI)
Go! Statistics about PROSITE motifs that interact with "B51" from MSDmotif MSD (EBI)
Go! Statistics about small 3D motifs that interact with "B51" from MSDmotif MSD (EBI)
Go! Statistics about secondary structure elements that interact with "B51" from MSDmotif MSD (EBI)
Search for "B51" in ReliBase ReliBase (CCDC)
Go! List of PDB entries containing "B51" and interacting residues FireDB (Spain)
Go! Search for "B51" in the PDB-Ligand database PDB-Ligand (Korea)
Miscellaneous
Go! Search for "B51" in the PubChem compound database PubChem (NCBI)
Go! Search for "FE3 NI S4" in the Chemistry Webbook Chemistry Webbook (NIST)
Search for "nickel/iron/sulfur cluster" in the ChemDB compound database ChemDB (UC Irvine)
Go! Search for "nickel/iron/sulfur cluster" in the KEGG-Ligand database KEGG-Ligand (Kyoto University)
Go! Search for "nickel/iron/sulfur cluster" with Google Google

2D structure diagram from MSDchem

2D structure diagram from MSDchem@RCSB

3D Image generated with LIGPLOT


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This page was created on Thu Feb 28 22:08:03 2008.