Receptor
PDB id Resolution Class Description Source Keywords
4K6B 1.1 Å NON-ENZYME: OTHER ATOMIC STRUCTURE OF BACTERIOPHAGE HS1 TAIL NEEDLE KNOB UNIDENTIFIED PHAGE JELLY-ROLL TOPOLOGY VIRAL PROTEIN CELL MEMBRANE PENETRATIOINFECTION
Ref.: THE TIP OF THE TAIL NEEDLE AFFECTS THE RATE OF DNA BY BACTERIOPHAGE P22. PLOS ONE V. 8 70936 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:402;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
GLU A:401;
B:401;
C:401;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
147.129 C5 H9 N O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K6B 1.1 Å NON-ENZYME: OTHER ATOMIC STRUCTURE OF BACTERIOPHAGE HS1 TAIL NEEDLE KNOB UNIDENTIFIED PHAGE JELLY-ROLL TOPOLOGY VIRAL PROTEIN CELL MEMBRANE PENETRATIOINFECTION
Ref.: THE TIP OF THE TAIL NEEDLE AFFECTS THE RATE OF DNA BY BACTERIOPHAGE P22. PLOS ONE V. 8 70936 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4K6B - GLU C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4K6B - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4K6B - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU 1 1
2 DGL 1 1
3 GGL 1 1
4 GLN 0.62963 0.821429
5 DGN 0.62963 0.821429
6 ONL 0.586207 0.821429
7 UN1 0.566667 0.96
8 11C 0.566667 0.96
9 HCS 0.555556 0.714286
10 HGA 0.53125 0.666667
11 NPI 0.53125 0.923077
12 HSE 0.518519 0.758621
13 DAB 0.518519 0.666667
14 MEQ 0.515152 0.71875
15 3O3 0.513514 0.727273
16 API 0.5 0.884615
17 NVA 0.5 0.740741
18 ASP 0.481481 0.846154
19 DAS 0.481481 0.846154
20 TNA 0.463415 0.685714
21 ABA 0.461538 0.692308
22 DSN 0.461538 0.655172
23 DBB 0.461538 0.692308
24 SER 0.461538 0.655172
25 RGP 0.459459 0.648649
26 ORN 0.451613 0.689655
27 HOZ 0.451613 0.666667
28 AE5 0.447368 0.727273
29 DCY 0.444444 0.642857
30 CYS 0.444444 0.642857
31 C2N 0.444444 0.666667
32 NLE 0.4375 0.689655
33 S2G 0.433333 0.653846
34 2HG 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 MET 0.424242 0.625
39 MSE 0.424242 0.606061
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 LYS 0.411765 0.645161
46 DHH 0.411765 0.851852
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 LEU 0.4 0.642857
50 5OY 0.4 0.648649
51 AS2 0.4 0.84
52 2JJ 0.4 0.648649
53 ONH 0.4 0.611111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K6B; Ligand: GLU; Similar sites found: 93
This union binding pocket(no: 1) in the query (biounit: 4k6b.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X6T NAP 0.005899 0.44837 None
2 2QZZ EMF 0.01687 0.43275 None
3 2QZZ NAP 0.01618 0.43275 None
4 1OC2 NAD 0.0384 0.4254 None
5 1LDN NAD 0.02557 0.41555 None
6 5DQ8 FLF 0.01727 0.41537 None
7 1KQB BEZ 0.02273 0.40761 None
8 4E5N NAD 0.03792 0.4063 None
9 1KQB FMN 0.02586 0.4047 None
10 4R1S NAP 0.03416 0.40263 None
11 3JUC PCA 0.01129 0.40144 None
12 1DQX BMP 0.03135 0.40032 None
13 1ECM TSA 0.0143 0.40008 None
14 4W6Z 8ID 0.03436 0.41287 1.24224
15 3RFV NAI 0.0301 0.40815 1.24224
16 3OZG SSI 0.01102 0.41485 1.86335
17 4MSG 2C6 0.03303 0.41279 1.86335
18 2PK3 A2R 0.01815 0.40943 1.86335
19 1FK8 NAD 0.01433 0.42255 2.48447
20 1F8G NAD 0.016 0.41556 2.48447
21 3RIY NAD 0.03097 0.40991 2.48447
22 3CRZ NAP 0.04203 0.40904 2.48447
23 3ORF NAD 0.03205 0.40792 2.48447
24 1L7E NAI 0.0243 0.40762 2.48447
25 3CRZ FAD 0.02165 0.40713 2.48447
26 1MI3 NAD 0.02745 0.41389 3.10559
27 1ELU CSS 0.02391 0.4049 3.10559
28 1SB8 UD2 0.03207 0.42785 3.72671
29 1SB8 NAD 0.02848 0.42785 3.72671
30 2XHK AKG 0.005698 0.41688 3.72671
31 5FJN BE2 0.04109 0.41655 3.72671
32 2Q8Z NUP 0.02861 0.4039 3.72671
33 1I06 TZL 0.01127 0.40248 3.72671
34 2CWH PYC 0.01518 0.43002 4.34783
35 3KH5 ADP 0.04217 0.42674 4.34783
36 3KH5 AMP 0.03073 0.42674 4.34783
37 1NZY BCA 0.01613 0.42256 4.34783
38 1HV9 UD1 0.02211 0.41655 4.34783
39 2X2M X2M 0.01533 0.4149 4.34783
40 1M2K APR 0.02806 0.40977 4.34783
41 5UIU 8CG 0.03637 0.40728 4.34783
42 2DJH 3PD UM3 0.0272 0.40036 4.34783
43 1R6D NAD 0.0177 0.4432 4.96894
44 3KO8 NAD 0.02079 0.42154 4.96894
45 2C29 NAP 0.02245 0.41619 4.96894
46 4HMX WUB 0.01309 0.41493 4.96894
47 3ACC 5GP 0.00727 0.4145 4.96894
48 3PY5 AMP 0.01137 0.41417 4.96894
49 2C29 DQH 0.04647 0.41275 4.96894
50 3MJE NDP 0.02874 0.41165 4.96894
51 5L6G XYP 0.0008771 0.40814 4.96894
52 3MAX LLX 0.02736 0.40774 4.96894
53 1Y52 BTN 0.04329 0.41283 5.55556
54 3W2E FAD 0.01286 0.44114 5.59006
55 3W2E NAD 0.01286 0.44114 5.59006
56 2RKV ZBA 0.03269 0.41505 5.59006
57 2RKV COA 0.02872 0.41505 5.59006
58 3FWN 6PG 0.0144 0.4146 5.59006
59 3FWN ATR 0.0306 0.4146 5.59006
60 2X1L MET 0.007472 0.4126 5.59006
61 1YKI NFZ 0.02218 0.41255 5.59006
62 1YKI FMN 0.01837 0.41243 5.59006
63 4WKB TDI 0.02112 0.4077 5.59006
64 1ICV FMN 0.02345 0.40534 5.59006
65 2VAP GDP 0.04149 0.40188 5.59006
66 1ORR NAD 0.02031 0.4232 6.21118
67 1A8R GTP 0.01416 0.41498 6.21118
68 4DI8 0GZ 0.003008 0.40176 6.21118
69 4DI8 0GY 0.003008 0.40176 6.21118
70 2VBU CDP 0.04248 0.40472 6.61765
71 2PZM NAD 0.04027 0.41625 6.8323
72 2PZM UDP 0.04027 0.41625 6.8323
73 4NKW PLO 0.01932 0.40252 6.8323
74 1VL0 NAI 0.004919 0.4469 7.45342
75 1HYH NAD 0.02125 0.41987 7.45342
76 3RUG DB6 0.04078 0.41752 8.07453
77 4DQL FAD 0.02032 0.41315 8.07453
78 4DQL NAP 0.04418 0.40971 8.07453
79 4BCS BTN 0.01104 0.41481 8.8
80 4I3V NAD 0.03323 0.40941 9.93789
81 3JQQ A2P 0.0148 0.43172 10.1266
82 3JQQ FAD 0.02695 0.4225 10.1266
83 3CAQ NDP 0.008969 0.4534 10.559
84 1DQN IMU 0.0127 0.40262 11.8012
85 1P18 7HP 0.01077 0.42605 13.0435
86 3A4V NAD 0.0413 0.40946 13.0435
87 1A59 COA 0.01404 0.41337 13.6646
88 2FXV 5GP 0.03085 0.40218 14.9068
89 3C1O NAP 0.01969 0.41387 15.528
90 3QF7 ANP 0.03269 0.40864 16
91 1WUR 8DG 0.03063 0.40085 16.1491
92 2EIX FAD 0.03357 0.40561 16.7702
93 1EIX BMQ 0.02185 0.40354 19.2547
Pocket No.: 2; Query (leader) PDB : 4K6B; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4k6b.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4K6B; Ligand: GLU; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4k6b.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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