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PDBsum entry 4pec
Go to PDB code:
Ligand/metal interactions
PDB id
4pec
Ligand highlighted
MHW-THR-DBB-PRO-
MHU-MHV-004-MHT
Ligands
MHW-THR-DBB-PRO-
MHU-MHV-004-MHT
MHW 1(6) to MHT 8(6)
Metals
_MG
×171
MG 3167(A)
MG 203(B)
MG 201(Q)
MG 3001(A)
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)
... plus 71 others
_ZN
ZN 101(4)
Ligand
MHW-THR-DBB-PRO-MHU-MHV-004-MHT
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
MHV
-
4-Oxo-L-Pipecolic acid
Formula:
C
6
H
9
NO
3
004
-
(2s)-Amino(phenyl)ethanoic acid [L-Phenylglycine]
Formula:
C
8
H
9
NO
2
MHT
-
(3s)-3-(Methylsulfanyl)-1-Azabicyclo[2.2.2]octane
Formula:
C
8
H
15
NS
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
0
0
0
0
0
0
THR 2(6)
8
8
1
1
0
0
0
0
0
0
DBB 3(6)
7
7
1
1
0
0
0
0
0
0
PRO 4(6)
8
8
1
1
0
0
0
0
0
0
MHU 5(6)
16
16
1
1
0
0
0
0
0
0
MHV 6(6)
10
10
1
1
0
0
0
0
0
0
004 7(6)
11
11
1
0
0
0
0
0
0
0
MHT 8(6)
10
8
0
0
2
0
-
-
-
-
Advanced Analysis
Residue
Name Mismatches
Count
MHW 1(6)
-
0
THR 2(6)
-
0
DBB 3(6)
-
0
PRO 4(6)
O: OXT
1
MHU 5(6)
-
0
MHV 6(6)
O: OXT
1
004 7(6)
O: OXT
1
MHT 8(6)
C6: C2
|
C5: C3
|
C3: C5
|
C2: C6
4
Additional Information
Obsolete entries are not available in the
Validator
DB
.
Validation carried out using
MotiveValidator
.
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3D Viewers:
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of interactions involving ligand MHW-THR-DBB-PRO-MHU-MHV-004-MHT
List of
interactions
MHW 1(6) to MHT 8(6)
_MG
×171
_ZN
