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PDBsum entry 4tpf
Go to PDB code:
Ligand/metal interactions
PDB id
4tpf
Ligand highlighted
MHW-THR-DBB-PRO-
MHU-04X-004
Ligands
MHW-THR-DBB-PRO-
MHU-04X-004
MHW 1(6) to 004 7(6)
VIF
VIF 3001(A)
Metals
_MG
×171
MG 3168(A)
MG 203(B)
MG 101(2)
MG 3002(A)
MG 3003(A)
MG 3004(A)
MG 3005(A)
MG 3006(A)
MG 3007(A)
MG 3008(A)
MG 3009(A)
MG 3010(A)
MG 3011(A)
MG 3012(A)
MG 3013(A)
MG 3014(A)
MG 3015(A)
MG 3016(A)
MG 3017(A)
MG 3018(A)
MG 3019(A)
MG 3020(A)
MG 3021(A)
MG 3022(A)
MG 3023(A)
MG 3024(A)
MG 3025(A)
MG 3026(A)
MG 3027(A)
MG 3028(A)
MG 3029(A)
MG 3030(A)
MG 3031(A)
MG 3032(A)
MG 3033(A)
MG 3034(A)
MG 3035(A)
MG 3036(A)
MG 3037(A)
MG 3038(A)
MG 3039(A)
MG 3040(A)
MG 3041(A)
MG 3042(A)
MG 3043(A)
MG 3044(A)
MG 3045(A)
MG 3046(A)
MG 3047(A)
MG 3048(A)
MG 3049(A)
MG 3050(A)
MG 3051(A)
MG 3052(A)
MG 3053(A)
MG 3054(A)
MG 3055(A)
MG 3056(A)
MG 3057(A)
MG 3058(A)
MG 3059(A)
MG 3060(A)
MG 3061(A)
MG 3062(A)
MG 3063(A)
MG 3064(A)
MG 3065(A)
MG 3066(A)
MG 3067(A)
MG 3068(A)
MG 3069(A)
MG 3070(A)
MG 3071(A)
MG 3072(A)
MG 3073(A)
MG 3074(A)
MG 3075(A)
MG 3076(A)
MG 3077(A)
MG 3078(A)
MG 3079(A)
MG 3080(A)
MG 3081(A)
MG 3082(A)
MG 3083(A)
MG 3084(A)
MG 3085(A)
MG 3086(A)
MG 3087(A)
MG 3088(A)
MG 3089(A)
MG 3090(A)
MG 3091(A)
MG 3092(A)
MG 3093(A)
MG 3094(A)
MG 3095(A)
MG 3096(A)
MG 3097(A)
MG 3098(A)
... plus 71 others
_ZN
ZN 101(4)
Ligand
MHW-THR-DBB-PRO-MHU-04X-004
MHW
-
3-Hydroxypicolinic acid
Formula:
C
6
H
5
NO
3
DBB
-
D-Alpha-Aminobutyric acid
Formula:
C
4
H
9
NO
2
MHU
-
4-N,N-(Dimethylamino)-L-Phenylalanine
Formula:
C
12
H
18
N
2
O
2
04X
-
(2s)-5-(Morpholin-4-Ylmethyl)-1,2,3,6- Tetrahydropyridine-2-Carboxylic acid
Formula:
C
11
H
18
N
2
O
3
004
-
(2s)-Amino(phenyl)ethanoic acid [L-Phenylglycine]
Formula:
C
8
H
9
NO
2
Validation of ligand annotation
Per Residue Validation
Atoms
Missing
Incorrect Chiral Centres
Residue
Dic.
Struc.
Link
Subs.
Atoms
Rings
Planar
High
C
Other
MHW 1(6)
10
10
1
1
Complete
Chiral checks - OK
THR 2(6)
8
8
1
1
Complete
Chiral checks - OK
DBB 3(6)
7
7
1
1
Complete
Chiral checks - OK
PRO 4(6)
8
8
1
1
Complete
Chiral checks - OK
MHU 5(6)
16
16
1
1
Complete
Chiral checks - OK
04X 6(6)
16
16
1
1
Complete
Chiral checks - OK
004 7(6)
11
11
1
0
Complete
Chiral checks - OK
Advanced Analysis
Residue
Name Mismatches
Count
MHW 1(6)
-
0
THR 2(6)
-
0
DBB 3(6)
O: OXT
1
PRO 4(6)
O: OXT
1
MHU 5(6)
O: OXT
1
04X 6(6)
O: OXT
1
004 7(6)
O: OXT
1
Additional Information
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Validator
DB
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Validation carried out using
MotiveValidator
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of interactions involving ligand MHW-THR-DBB-PRO-MHU-04X-004
List of
interactions
MHW 1(6) to 004 7(6)
_MG
×171
