Enum: CoordinationGeometry

Coordination geometry of metal centers in protein structures

URI: valuesets:CoordinationGeometry

Permissible Values

Value	Title	Meaning	Description	Coordination Number
LINEAR			Linear coordination geometry (2 ligands at 180°)	2
TRIGONAL_PLANAR			Trigonal planar coordination geometry (3 ligands, 120° angles)	3
TRIGONAL_PYRAMIDAL			Trigonal pyramidal coordination geometry	3
T_SHAPED			T-shaped coordination geometry	3
TETRAHEDRAL	tetrahedral molecular geometry	NCIT:C103215	Tetrahedral coordination geometry (4 ligands, 109.5° angles)	4
SQUARE_PLANAR	Square Planar 1 Molecular Geometry	NCIT:C103211	Square planar coordination geometry (4 ligands in plane)	4
TRIGONAL_BIPYRAMIDAL			Trigonal bipyramidal coordination geometry (5 ligands)	5
SQUARE_PYRAMIDAL			Square pyramidal coordination geometry (5 ligands)	5
PENTAGONAL_PLANAR			Pentagonal planar coordination geometry (5 ligands in plane)	5
OCTAHEDRAL	Octahedral 12 Molecular Geometry	NCIT:C103216	Octahedral coordination geometry (6 ligands)	6
TRIGONAL_PRISMATIC			Trigonal prismatic coordination geometry (6 ligands)	6
PENTAGONAL_BIPYRAMIDAL			Pentagonal bipyramidal coordination geometry (7 ligands)	7
HEXAGONAL_BIPYRAMIDAL			Hexagonal bipyramidal coordination geometry (8 ligands)	8
SQUARE_ANTIPRISMATIC			Square antiprismatic coordination geometry (8 ligands)	8
DODECAHEDRAL			Dodecahedral coordination geometry (8 ligands)	8
CUBIC			Cubic coordination geometry (8 ligands)	8
BENT			Bent or angular coordination geometry	2
SEE_SAW			See-saw coordination geometry (4 ligands)	4

Slots

Name	Description
coordination_geometry	Geometry of metal coordination in protein structures

Identifier and Mapping Information

Schema Source

• from schema: https://w3id.org/linkml/valuesets

LinkML Source

name: CoordinationGeometry
instantiates:
- valuesets_meta:ValueSetEnumDefinition
description: Coordination geometry of metal centers in protein structures
title: Coordination Geometry
from_schema: https://w3id.org/linkml/valuesets
contributors:
- orcid:0000-0002-6601-2165
- https://github.com/anthropics/claude-code
status: DRAFT
rank: 1000
permissible_values:
  LINEAR:
    text: LINEAR
    description: Linear coordination geometry (2 ligands at 180°)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '2'
  TRIGONAL_PLANAR:
    text: TRIGONAL_PLANAR
    description: Trigonal planar coordination geometry (3 ligands, 120° angles)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '3'
  TRIGONAL_PYRAMIDAL:
    text: TRIGONAL_PYRAMIDAL
    description: Trigonal pyramidal coordination geometry
    annotations:
      coordination_number:
        tag: coordination_number
        value: '3'
  T_SHAPED:
    text: T_SHAPED
    description: T-shaped coordination geometry
    annotations:
      coordination_number:
        tag: coordination_number
        value: '3'
  TETRAHEDRAL:
    text: TETRAHEDRAL
    description: Tetrahedral coordination geometry (4 ligands, 109.5° angles)
    meaning: NCIT:C103215
    annotations:
      coordination_number:
        tag: coordination_number
        value: '4'
    title: tetrahedral molecular geometry
  SQUARE_PLANAR:
    text: SQUARE_PLANAR
    description: Square planar coordination geometry (4 ligands in plane)
    meaning: NCIT:C103211
    annotations:
      coordination_number:
        tag: coordination_number
        value: '4'
    title: Square Planar 1 Molecular Geometry
  TRIGONAL_BIPYRAMIDAL:
    text: TRIGONAL_BIPYRAMIDAL
    description: Trigonal bipyramidal coordination geometry (5 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '5'
  SQUARE_PYRAMIDAL:
    text: SQUARE_PYRAMIDAL
    description: Square pyramidal coordination geometry (5 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '5'
  PENTAGONAL_PLANAR:
    text: PENTAGONAL_PLANAR
    description: Pentagonal planar coordination geometry (5 ligands in plane)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '5'
  OCTAHEDRAL:
    text: OCTAHEDRAL
    description: Octahedral coordination geometry (6 ligands)
    meaning: NCIT:C103216
    annotations:
      coordination_number:
        tag: coordination_number
        value: '6'
    title: Octahedral 12 Molecular Geometry
  TRIGONAL_PRISMATIC:
    text: TRIGONAL_PRISMATIC
    description: Trigonal prismatic coordination geometry (6 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '6'
  PENTAGONAL_BIPYRAMIDAL:
    text: PENTAGONAL_BIPYRAMIDAL
    description: Pentagonal bipyramidal coordination geometry (7 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '7'
  HEXAGONAL_BIPYRAMIDAL:
    text: HEXAGONAL_BIPYRAMIDAL
    description: Hexagonal bipyramidal coordination geometry (8 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '8'
  SQUARE_ANTIPRISMATIC:
    text: SQUARE_ANTIPRISMATIC
    description: Square antiprismatic coordination geometry (8 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '8'
  DODECAHEDRAL:
    text: DODECAHEDRAL
    description: Dodecahedral coordination geometry (8 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '8'
  CUBIC:
    text: CUBIC
    description: Cubic coordination geometry (8 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '8'
  BENT:
    text: BENT
    description: Bent or angular coordination geometry
    annotations:
      coordination_number:
        tag: coordination_number
        value: '2'
  SEE_SAW:
    text: SEE_SAW
    description: See-saw coordination geometry (4 ligands)
    annotations:
      coordination_number:
        tag: coordination_number
        value: '4'