Chemical Components in the PDB

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NCO : Summary

Code

NCO

One-letter code

X

Molecule name

COBALT HEXAMMINE(III)

Systematic names

Not Assigned

Formula

Co H18 N6

Formal charge

3

Molecular weight

161.116 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.341 N|[Co+3](|N)(|N)(|N)(|N)|N
SMILES OpenEye OEToolkits 1.5.0 [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]
Canonical SMILES CACTVS 3.341 N|[Co+3](|N)(|N)(|N)(|N)|N
Canonical SMILES OpenEye OEToolkits 1.5.0 [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]

IUPAC InChI

InChI=1/Co.6H3N/h;6*1H3/q+3;;;;;;/rCoH18N6/c2-1(3,4,5,6)7/h2-7H3/q+3

IUPAC InChI key

DYLMFCCYOUSRTK-FGTKAUEHAT
NCO

wwPDB Information

Atom count

25 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAC

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2008-12-19

Status

Released

Obsoleted

Not Assigned



NCO : Atoms of Molecule

Total Number of Atoms: 25
Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CO CO CO N N N 3 0.0 0.0 0.0
2 HN11 H HN11 N N N 0 0.749 0.921 2.025
3 HN12 H HN12 N N N 0 -0.698 0.163 2.236
4 HN13 H HN13 N N N 0 0.687 -0.723 2.125
5 HN21 H HN21 N N N 0 -1.046 0.391 -2.065
6 HN22 H HN22 N N N 0 0.59 0.317 -2.25
7 HN23 H HN23 N N N 0 -0.282 -1.069 -2.071
8 HN31 H HN31 N N N 0 0.129 -2.197 -0.817
9 HN32 H HN32 N N N 0 1.391 -1.881 0.194
10 HN33 H HN33 N N N 0 -0.102 -2.2 0.814
11 HN41 H HN41 N N N 0 2.253 -0.448 -0.483
12 HN42 H HN42 N N N 0 1.854 1.08 -0.954
13 HN43 H HN43 N N N 0 2.13 0.753 0.638
14 HN51 H HN51 N N N 0 -0.34 2.094 -1.006
15 HN52 H HN52 N N N 0 -1.335 1.909 0.294
16 HN53 H HN53 N N N 0 0.256 2.275 0.52
17 HN61 H HN61 N N N 0 -1.919 -0.65 1.185
18 HN62 H HN62 N N N 0 -2.31 0.421 -0.0050
19 HN63 H HN63 N N N 0 -2.008 -1.155 -0.381
20 N1 N N1 N N N 0 0.207 0.102 1.795
21 N2 N N2 N N N 0 -0.207 -0.102 -1.795
22 N3 N N3 N N N 0 0.399 -1.765 0.054
23 N4 N N4 N N N 0 1.753 0.389 -0.225
24 N5 N N5 N N N 0 -0.399 1.765 -0.054
25 N6 N N6 N N N 0 -1.753 -0.389 0.225



NCO : Chemical Bonds

Total Number of Bonds: 24
Record First Atom Second Atom First Element Second Element Bond Order Type Bond Length Bond Stereochemistry Is Aromatic
1 CO N1 CO N sing 1.81 N N
2 CO N2 CO N sing 1.81 N N
3 CO N3 CO N sing 1.81 N N
4 CO N4 CO N sing 1.81 N N
5 CO N5 CO N sing 1.81 N N
6 CO N6 CO N sing 1.81 N N
7 N1 HN11 N H sing 1.01 N N
8 N1 HN12 N H sing 1.01 N N
9 N1 HN13 N H sing 1.01 N N
10 N2 HN21 N H sing 1.01 N N
11 N2 HN22 N H sing 1.01 N N
12 N2 HN23 N H sing 1.01 N N
13 N3 HN31 N H sing 1.01 N N
14 N3 HN32 N H sing 1.01 N N
15 N3 HN33 N H sing 1.01 N N
16 N4 HN41 N H sing 1.01 N N
17 N4 HN42 N H sing 1.01 N N
18 N4 HN43 N H sing 1.01 N N
19 N5 HN51 N H sing 1.01 N N
20 N5 HN52 N H sing 1.01 N N
21 N5 HN53 N H sing 1.01 N N
22 N6 HN61 N H sing 1.01 N N
23 N6 HN62 N H sing 1.01 N N
24 N6 HN63 N H sing 1.01 N N



NCO : Used in PDB Entries

Total Number of PDB Entries: 254
Ligand Code PDB Entry ID Type Total Distinct
NCO 1ajf Open in New Window Bound ligand 1 1
NCO 1c0o Open in New Window Bound ligand 1 1
NCO 1d8x Open in New Window Bound ligand 1 1
NCO 1d9r Open in New Window Bound ligand 1 1
NCO 1dn8 Open in New Window Bound ligand 1 1
NCO 1f69 Open in New Window Bound ligand 1 1
NCO 1f78 Open in New Window Bound ligand 1 1
NCO 1f79 Open in New Window Bound ligand 1 1
NCO 1f7h Open in New Window Bound ligand 1 1
NCO 1f7i Open in New Window Bound ligand 1 1
NCO 1gid Open in New Window Bound ligand 4 1
NCO 1i3a Open in New Window Bound ligand 1 1
NCO 1ih1 Open in New Window Bound ligand 1 1
NCO 1ixj Open in New Window Bound ligand 1 1
NCO 1m77 Open in New Window Bound ligand 1 1
NCO 1mdg Open in New Window Bound ligand 1 1
NCO 1mf5 Open in New Window Bound ligand 1 1
NCO 1omk Open in New Window Bound ligand 2 1
NCO 1qxo Open in New Window Bound ligand 9 1
NCO 1sj1 Open in New Window Bound ligand 4 1
NCO 1sjf Open in New Window Bound ligand 2 1
NCO 1tqq Open in New Window Bound ligand 1 1
NCO 1ub8 Open in New Window Bound ligand 9 1
NCO 1ue2 Open in New Window Bound ligand 1 1
NCO 1ue3 Open in New Window Bound ligand 1 1
NCO 1uhx Open in New Window Bound ligand 1 1
NCO 1uhy Open in New Window Bound ligand 2 1
NCO 1x9c Open in New Window Bound ligand 2 1
NCO 1xa2 Open in New Window Bound ligand 1 1
NCO 1xam Open in New Window Bound ligand 1 1
NCO 1xst Open in New Window Bound ligand 1 1
NCO 1xsu Open in New Window Bound ligand 1 1
NCO 1y6g Open in New Window Bound ligand 7 1
NCO 1y8z Open in New Window Bound ligand 5 1
NCO 1ya6 Open in New Window Bound ligand 7 1
NCO 1zft Open in New Window Bound ligand 2 1
NCO 1zfv Open in New Window Bound ligand 1 1
NCO 1zfx Open in New Window Bound ligand 2 1
NCO 1zjg Open in New Window Bound ligand 1 1
NCO 212d Open in New Window Bound ligand 3 1
NCO 222d Open in New Window Bound ligand 2 1
NCO 232d Open in New Window Bound ligand 2 1
NCO 2b1d Open in New Window Bound ligand 3 1
NCO 2b57 Open in New Window Bound ligand 9 1
NCO 2bcy Open in New Window Bound ligand 1 1
NCO 2bcz Open in New Window Bound ligand 2 1
NCO 2cd5 Open in New Window Bound ligand 1 1
NCO 2cd6 Open in New Window Bound ligand 1 1
NCO 2d2k Open in New Window Bound ligand 2 1
NCO 2d2l Open in New Window Bound ligand 3 1
NCO 2djl Open in New Window Bound ligand 1 1
NCO 2djx Open in New Window Bound ligand 1 1
NCO 2e68 Open in New Window Bound ligand 1 1
NCO 2e6a Open in New Window Bound ligand 1 1
NCO 2e6d Open in New Window Bound ligand 1 1
NCO 2e6f Open in New Window Bound ligand 1 1
NCO 2ees Open in New Window Bound ligand 12 1
NCO 2eet Open in New Window Bound ligand 12 1
NCO 2eeu Open in New Window Bound ligand 12 1
NCO 2eev Open in New Window Bound ligand 12 1
NCO 2eew Open in New Window Bound ligand 8 1
NCO 2f1q Open in New Window Bound ligand 1 1
NCO 2fgp Open in New Window Bound ligand 1 1
NCO 2fij Open in New Window Bound ligand 3 1
NCO 2fil Open in New Window Bound ligand 7 1
NCO 2fqn Open in New Window Bound ligand 3 1
NCO 2g5k Open in New Window Bound ligand 2 1
NCO 2g6f Open in New Window Bound ligand 1 1
NCO 2g9c Open in New Window Bound ligand 12 1
NCO 2i7e Open in New Window Bound ligand 4 1
NCO 2jja Open in New Window Bound ligand 2 1
NCO 2npy Open in New Window Bound ligand 1 1
NCO 2npz Open in New Window Bound ligand 1 1
NCO 2oj3 Open in New Window Bound ligand 2 1
NCO 2oue Open in New Window Bound ligand 2 1
NCO 2p7d Open in New Window Bound ligand 2 1
NCO 2p7e Open in New Window Bound ligand 2 1
NCO 2p7f Open in New Window Bound ligand 2 1
NCO 2p8d Open in New Window Bound ligand 3 1
NCO 2ptm Open in New Window Bound ligand 1 1
NCO 2pxb Open in New Window Bound ligand 8 1
NCO 2pxd Open in New Window Bound ligand 7 1
NCO 2pxe Open in New Window Bound ligand 7 1
NCO 2pxf Open in New Window Bound ligand 7 1
NCO 2pxk Open in New Window Bound ligand 7 1
NCO 2pxl Open in New Window Bound ligand 7 1
NCO 2pxp Open in New Window Bound ligand 7 1
NCO 2pxq Open in New Window Bound ligand 7 1
NCO 2pxt Open in New Window Bound ligand 8 1
NCO 2pxu Open in New Window Bound ligand 7 1
NCO 2pxv Open in New Window Bound ligand 8 1
NCO 2wj0 Open in New Window Bound ligand 1 1
NCO 2wna Open in New Window Bound ligand 2 1
NCO 2x2q Open in New Window Bound ligand 1 1
NCO 2xnw Open in New Window Bound ligand 7 1
NCO 2xnz Open in New Window Bound ligand 6 1
NCO 2xo0 Open in New Window Bound ligand 6 1
NCO 2xo1 Open in New Window Bound ligand 7 1
NCO 2z8q Open in New Window Bound ligand 4 1
NCO 312d Open in New Window Bound ligand 1 1
NCO 313d Open in New Window Bound ligand 1 1
NCO 314d Open in New Window Bound ligand 1 1
NCO 331d Open in New Window Bound ligand 2 1
NCO 362d Open in New Window Bound ligand 2 1
NCO 376d Open in New Window Bound ligand 1 1
NCO 3b58 Open in New Window Bound ligand 2 1
NCO 3b5a Open in New Window Bound ligand 2 1
NCO 3b5f Open in New Window Bound ligand 2 1
NCO 3b5s Open in New Window Bound ligand 2 1
NCO 3b91 Open in New Window Bound ligand 2 1
NCO 3bbi Open in New Window Bound ligand 2 1
NCO 3bbk Open in New Window Bound ligand 3 1
NCO 3bbm Open in New Window Bound ligand 3 1
NCO 3bnl Open in New Window Bound ligand 8 1
NCO 3bnt Open in New Window Bound ligand 1 1
NCO 3cqs Open in New Window Bound ligand 1 1
NCO 3ds7 Open in New Window Bound ligand 11 1
NCO 3f30 Open in New Window Bound ligand 9 1
NCO 3fl6 Open in New Window Bound ligand 7 1
NCO 3fo4 Open in New Window Bound ligand 12 1
NCO 3fo6 Open in New Window Bound ligand 9 1
NCO 3ft6 Open in New Window Bound ligand 3 1
NCO 3g4m Open in New Window Bound ligand 11 1
NCO 3gao Open in New Window Bound ligand 13 1
NCO 3ger Open in New Window Bound ligand 12 1
NCO 3ges Open in New Window Bound ligand 8 1
NCO 3gog Open in New Window Bound ligand 8 1
NCO 3got Open in New Window Bound ligand 11 1
NCO 3gs1 Open in New Window Bound ligand 2 1
NCO 3gs5 Open in New Window Bound ligand 2 1
NCO 3gs8 Open in New Window Bound ligand 2 1
NCO 3gx4 Open in New Window Bound ligand 2 1
NCO 3i2q Open in New Window Bound ligand 1 1
NCO 3i2r Open in New Window Bound ligand 2 1
NCO 3i2s Open in New Window Bound ligand 2 1
NCO 3i2u Open in New Window Bound ligand 2 1
NCO 3lln Open in New Window Bound ligand 1 1
NCO 3lqx Open in New Window Bound ligand 8 1
NCO 3npq Open in New Window Bound ligand 15 1
NCO 3p59 Open in New Window Bound ligand 10 1
NCO 3rkf Open in New Window Bound ligand 26 1
NCO 3skr Open in New Window Bound ligand 9 1
NCO 3v7e Open in New Window Bound ligand 18 1
NCO 3vw3 Open in New Window Bound ligand 1 1
NCO 3w1a Open in New Window Bound ligand 1 1
NCO 3w1l Open in New Window Bound ligand 1 1
NCO 3w1m Open in New Window Bound ligand 1 1
NCO 3w1n Open in New Window Bound ligand 1 1
NCO 3w1p Open in New Window Bound ligand 1 1
NCO 3w1q Open in New Window Bound ligand 1 1
NCO 3w1r Open in New Window Bound ligand 1 1
NCO 3w1t Open in New Window Bound ligand 1 1
NCO 3w1u Open in New Window Bound ligand 1 1
NCO 3w1x Open in New Window Bound ligand 1 1
NCO 3w22 Open in New Window Bound ligand 1 1
NCO 3w23 Open in New Window Bound ligand 1 1
NCO 3w2j Open in New Window Bound ligand 1 1
NCO 3w2k Open in New Window Bound ligand 1 1
NCO 3w2l Open in New Window Bound ligand 1 1
NCO 3w2m Open in New Window Bound ligand 1 1
NCO 3w2n Open in New Window Bound ligand 1 1
NCO 3w2u Open in New Window Bound ligand 1 1
NCO 3w3o Open in New Window Bound ligand 1 1
NCO 3w6y Open in New Window Bound ligand 1 1
NCO 3w70 Open in New Window Bound ligand 1 1
NCO 3w71 Open in New Window Bound ligand 1 1
NCO 3w72 Open in New Window Bound ligand 1 1
NCO 3w73 Open in New Window Bound ligand 1 1
NCO 3w74 Open in New Window Bound ligand 1 1
NCO 3w75 Open in New Window Bound ligand 1 1
NCO 3w76 Open in New Window Bound ligand 1 1
NCO 3w7c Open in New Window Bound ligand 1 1
NCO 3w7d Open in New Window Bound ligand 1 1
NCO 3w7e Open in New Window Bound ligand 1 1
NCO 3w7g Open in New Window Bound ligand 1 1
NCO 3w7h Open in New Window Bound ligand 1 1
NCO 3w7i Open in New Window Bound ligand 1 1
NCO 3w7j Open in New Window Bound ligand 2 1
NCO 3w7k Open in New Window Bound ligand 1 1
NCO 3w7l Open in New Window Bound ligand 1 1
NCO 3w7m Open in New Window Bound ligand 1 1
NCO 3w7n Open in New Window Bound ligand 1 1
NCO 3w7o Open in New Window Bound ligand 1 1
NCO 3w7p Open in New Window Bound ligand 1 1
NCO 3w7q Open in New Window Bound ligand 1 1
NCO 3w83 Open in New Window Bound ligand 1 1
NCO 3w84 Open in New Window Bound ligand 1 1
NCO 3w85 Open in New Window Bound ligand 1 1
NCO 3w86 Open in New Window Bound ligand 2 1
NCO 3w87 Open in New Window Bound ligand 2 1
NCO 3w88 Open in New Window Bound ligand 2 1
NCO 4dhv Open in New Window Bound ligand 4 1
NCO 4f2x Open in New Window Bound ligand 2 1
NCO 4f8g Open in New Window Bound ligand 2 1
NCO 4f8i Open in New Window Bound ligand 2 1
NCO 4fe5 Open in New Window Bound ligand 6 1
NCO 4fej Open in New Window Bound ligand 7 1
NCO 4fel Open in New Window Bound ligand 9 1
NCO 4fen Open in New Window Bound ligand 7 1
NCO 4feo Open in New Window Bound ligand 9 1
NCO 4fep Open in New Window Bound ligand 9 1
NCO 4g6p Open in New Window Bound ligand 2 1
NCO 4g6s Open in New Window Bound ligand 2 1
NCO 4jd4 Open in New Window Bound ligand 1 1
NCO 4jdb Open in New Window Bound ligand 1 1
NCO 4k8z Open in New Window Bound ligand 1 1
NCO 4l81 Open in New Window Bound ligand 9 1
NCO 4mnb Open in New Window Bound ligand 3 1
NCO 4pco Open in New Window Bound ligand 12 1
NCO 4q0p Open in New Window Bound ligand 1 1
NCO 4q0q Open in New Window Bound ligand 1 1
NCO 4q0s Open in New Window Bound ligand 1 1
NCO 4q0u Open in New Window Bound ligand 1 1
NCO 4q0v Open in New Window Bound ligand 1 1
NCO 4qup Open in New Window Bound ligand 1 1
NCO 4quq Open in New Window Bound ligand 1 1
NCO 4qur Open in New Window Bound ligand 1 1
NCO 4u6k Open in New Window Bound ligand 3 1
NCO 4u6l Open in New Window Bound ligand 1 1
NCO 4wfl Open in New Window Bound ligand 15 1
NCO 4wfm Open in New Window Bound ligand 23 1
NCO 4x19 Open in New Window Bound ligand 1 1
NCO 4x1c Open in New Window Bound ligand 2 1
NCO 4zci Open in New Window Bound ligand 4 1
NCO 4zcl Open in New Window Bound ligand 4 1
NCO 4zcm Open in New Window Bound ligand 4 1
NCO 5c7u Open in New Window Bound ligand 7 1
NCO 5c7w Open in New Window Bound ligand 8 1
NCO 5d8t Open in New Window Bound ligand 4 1
NCO 5dek Open in New Window Bound ligand 2 1
NCO 5e93 Open in New Window Bound ligand 3 1
NCO 5ea9 Open in New Window Bound ligand 2 1
NCO 5hl4 Open in New Window Bound ligand 1 1
NCO 5hpe Open in New Window Bound ligand 2 1
NCO 5jev Open in New Window Bound ligand 1 1
NCO 5ktj Open in New Window Bound ligand 10 1
NCO 5ljy Open in New Window Bound ligand 1 1
NCO 5n78 Open in New Window Bound ligand 14 1
NCO 5th9 Open in New Window Bound ligand 3 1
NCO 5v2h Open in New Window Bound ligand 1 1
NCO 6b8a Open in New Window Bound ligand 2 1
NCO 6c27 Open in New Window Bound ligand 8 1
NCO 6cxz Open in New Window Bound ligand 1 1
NCO 6jje Open in New Window Bound ligand 3 1
NCO 6jjf Open in New Window Bound ligand 3 1
NCO 6kfl Open in New Window Bound ligand 1 1
NCO 6p2h Open in New Window Bound ligand 5 1
NCO 6qjs Open in New Window Bound ligand 4 1
NCO 6ubu Open in New Window Bound ligand 7 1
NCO 6uc7 Open in New Window Bound ligand 8 1
NCO 6uc8 Open in New Window Bound ligand 8 1
NCO 6uc9 Open in New Window Bound ligand 7 1
NCO 6vem Open in New Window Bound ligand 5 1
NCO 6vmy Open in New Window Bound ligand 7 1