Chemical Components in the PDB

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CR : Summary

Code

CR

One-letter code

X

Molecule name

CHROMIUM ION

Systematic names

ProgramVersionName
ACDLabs 10.04 chromium(3+)
OpenEye OEToolkits 1.5.0 chromium(+3) cation

Formula

Cr

Formal charge

3

Molecular weight

51.996 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [Cr+3]
SMILES CACTVS 3.341 [Cr+3]
SMILES OpenEye OEToolkits 1.5.0 [Cr+3]
Canonical SMILES CACTVS 3.341 [Cr+3]
Canonical SMILES OpenEye OEToolkits 1.5.0 [Cr+3]

IUPAC InChI

InChI=1S/Cr/q+3

IUPAC InChI key

BFGKITSFLPAWGI-UHFFFAOYSA-N
CR

wwPDB Information

Atom count

1 (1 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned



CR : Atoms of Molecule

Total Number of Atoms: 1
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CR CR CR N N N 3 0.0 0.0 0.0



CR : Chemical Bonds

Total Number of Bonds: 0
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic



CR : Used in PDB Entries

Total Number of PDB Entries: 10
Ligand Code PDB Entry ID Type Total Distinct
CR 1huo Open in New Window Bound ligand 2 1
CR 1huz Open in New Window Bound ligand 2 1
CR 1j3f Open in New Window Bound ligand 1 1
CR 1lm2 Open in New Window Bound ligand 1 1
CR 1sm8 Open in New Window Bound ligand 3 1
CR 1zqe Open in New Window Bound ligand 2 1
CR 4r15 Open in New Window Bound ligand 3 1
CR 6ndc Open in New Window Bound ligand 6 1
CR 6uj6 Open in New Window Bound ligand 1 1
CR 9icc Open in New Window Bound ligand 1 1