Chemical Components in the PDB

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ZPT : Summary

Code

ZPT

One-letter code

X

Molecule name

Trichloro(ethene)platinate(II)

Systematic names

Not Assigned

Formula

C2 H4 Cl3 Pt

Formal charge

-1

Molecular weight

329.49 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1
SMILES OpenEye OEToolkits 1.7.6 [CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]
Canonical SMILES CACTVS 3.385 [Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1
Canonical SMILES OpenEye OEToolkits 1.7.6 [CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-]

IUPAC InChI

InChI=1S/C2H4.3ClH.Pt/c1-2;;;;/h1-2H2;3*1H;/q;;;;+2/p-3

IUPAC InChI key

LJEKXYSRMGLQBW-UHFFFAOYSA-K
ZPT

wwPDB Information

Atom count

10 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-07-13

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned



ZPT : Atoms of Molecule

Total Number of Atoms: 10
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 PT PT PT N N N 2
2 C1 C C1 N N Y 0
3 C2 C C2 N N Y 0
4 CL1 CL CL1 N N Y -1
5 CL2 CL CL2 N N Y -1
6 CL3 CL CL3 N N Y -1
7 H11 H H11 N N Y 0
8 H12 H H12 N N Y 0
9 H21 H H21 N N Y 0
10 H22 H H22 N N Y 0



ZPT : Chemical Bonds

Total Number of Bonds: 10
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 PT C1 PT C sing N N
2 PT C2 PT C sing N N
3 PT CL1 PT CL sing N N
4 PT CL2 PT CL sing N N
5 PT CL3 PT CL sing N N
6 C1 C2 C C doub N N
7 C1 H11 C H sing N N
8 C1 H12 C H sing N N
9 C2 H21 C H sing N N
10 C2 H22 C H sing N N



ZPT : Used in PDB Entries

Total Number of PDB Entries: 1
Ligand Code PDB Entry ID Type Total Distinct
ZPT 5k08 Open in New Window Bound ligand 2 1