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PDBsum entry 1qkc
Go to PDB code:
Ligand/metal interactions
PDB id
1qkc
Ligand highlighted
PA1-GCN-KDO-GMH-
GMH-GLC-GLC-GLC-
GLA-GMH-KDO
Ligands
PA1-GCN-KDO-GMH-
GMH-GLC-GLC-GLC-
GLA-GMH-KDO
PA1 1(B) to KDO 11(B)
FTT
×2
FTT 1002(A)
FTT 1003(A)
FTT-FTT
×2
FTT 1004(A) to FTT 1005(A)
FTT 1006(A) to FTT 1007(A)
DPO
×2
DPO 1013(A)
DPO 1015(A)
PO4
×2
PO4 1014(A)
PO4 1016(A)
ALB
ALB 1022(A)
Metals
_NI
NI 1021(A)
Ligand
PA1-GCN-KDO-GMH-GMH-GLC-GLC-GLC-GLA-GMH-KDO
PA1
-
2-Amino-2-Deoxy-Alpha-D-Glucopyranose [Alpah-D-Glucosamine; 2-Amino-2-Deoxy-Alpha-D-Glucose; 2-Amino-2-Deoxy-D-Glucose; 2-Amino-2-Deoxy-Glucose]
Formula:
C
6
H
13
NO
5
GCN
-
2-Amino-2,3-Dideoxy-Alpha-D-Glucoyranose [3-Deoxy-D-Glucosamine; 3-Deoxy-Alpha-D-Glucosamine]
Formula:
C
6
H
13
NO
4
KDO
-
3-Deoxy-Alpha-D-Manno-Oct-2-Ulopyranosonic acid [3-Deoxy-D-Manno-Oct-2-Ulopyranosonic acid; 2-Keto-3- Deoxy-D-Mannooctanoic acid; 3-Deoxy-Alpha-D-Manno-Oct- 2-Ulosonic acid; 3-Deoxy-D-Manno-Oct-2-Ulosonic acid; 3-Deoxy-Manno-Oct-2-Ulosonic acid]
Formula:
C
8
H
14
O
8
GMH
-
L-Glycero-Alpha-D-Manno-Heptopyranose [L-Glycero-Alpha-D-Manno-Heptose; l-Glycero-D-Manno- Heptose; l-Glycero-Manno-Heptose; l-Glycero-D-Manno- Heptopyranose]
Formula:
C
7
H
14
O
7
GLC
-
Alpha-D-Glucopyranose [Alpha-D-Glucose; d-Glucose; glucose]
Formula:
C
6
H
12
O
6
GLA
-
Alpha-D-Galactopyranose [Alpha-D-Galactose; d-Galactose; galactose; alpha d- Galactose]
Formula:
C
6
H
12
O
6
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
PA1 1(B)
12
12
1
0
0
0
0
0
0
0
GCN 2(B)
11
11
1
0
0
0
0
0
2
0
KDO 3(B)
16
16
1
0
0
0
0
0
0
0
GMH 4(B)
14
14
1
0
0
0
0
0
0
0
GMH 5(B)
14
14
1
0
0
0
0
0
1
0
GLC 6(B)
12
12
1
0
0
0
0
0
0
0
GLC 7(B)
12
12
1
0
0
0
0
0
0
0
GLC 8(B)
12
12
1
0
0
0
0
0
0
0
GLA 9(B)
12
12
1
0
0
0
0
0
0
0
GMH 10(B)
14
14
1
0
0
0
0
0
1
0
KDO 11(B)
16
16
1
0
0
0
0
0
0
0
Additional Information
Validation carried out using
MotiveValidator
. Full validation report can be found in
Validator
DB
.
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of interactions involving ligand PA1-GCN-KDO-GMH-GMH-GLC-GLC-GLC-GLA-GMH-KDO
List of
interactions
PA1 1(B) to KDO 11(B)
_NI
