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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 1443 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 1205 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 1039 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 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 DGN 0.62963 0.821429
5 GLN 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 NPI 0.53125 0.923077
11 HGA 0.53125 0.666667
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 NVA 0.5 0.740741
17 API 0.5 0.884615
18 DAS 0.481481 0.846154
19 ASP 0.481481 0.846154
20 TNA 0.463415 0.685714
21 DBB 0.461538 0.692308
22 ABA 0.461538 0.692308
23 DSN 0.461538 0.655172
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 C2N 0.444444 0.666667
31 CYS 0.444444 0.642857
32 NLE 0.4375 0.689655
33 2HG 0.433333 0.653846
34 S2G 0.433333 0.653846
35 ASN 0.428571 0.677419
36 26P 0.428571 0.857143
37 3GC 0.425 0.705882
38 DLY 0.424242 0.666667
39 MED 0.424242 0.625
40 MET 0.424242 0.625
41 MSE 0.424242 0.606061
42 BIX 0.418605 0.631579
43 MF3 0.416667 0.625
44 CBH 0.414634 0.774194
45 DHH 0.411765 0.851852
46 LYS 0.411765 0.645161
47 SHR 0.409091 0.774194
48 2NP 0.405405 0.71875
49 AS2 0.4 0.84
50 5OY 0.4 0.648649
51 ONH 0.4 0.611111
52 2JJ 0.4 0.648649
53 LEU 0.4 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K6B; Ligand: GLU; Similar sites found with APoc: 177
This union binding pocket(no: 1) in the query (biounit: 4k6b.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2X6T NAP None
2 1EQ2 NAP None
3 3TYZ XHP None
4 2QZZ EMF None
5 2QZZ NAP None
6 1OC2 TDX None
7 1OC2 NAD None
8 2ART LPA AMP None
9 1LDN NAD None
10 5DQ8 FLF None
11 1KQB BEZ None
12 4E5N NAD None
13 1KQB FMN None
14 4R1S NAP None
15 3JUC PCA None
16 1DQX BMP None
17 1ECM TSA None
18 4W6Z 8ID 1.24224
19 3RFV NAI 1.24224
20 2GJN FMN 1.24224
21 6ECT SAM 1.24224
22 3OZG SSI 1.86335
23 4MSG 2C6 1.86335
24 2CND FAD 1.86335
25 2PK3 A2R 1.86335
26 1SJN DUP 1.86335
27 3BY8 MLT 2.11268
28 1FK8 NAD 2.48447
29 4OOP DUP 2.48447
30 6EQS BV8 2.48447
31 6APV 3L4 2.48447
32 1F8G NAD 2.48447
33 1KQN NAD 2.48447
34 5Z2F NAP 2.48447
35 3RIY NAD 2.48447
36 3CRZ NAP 2.48447
37 3ORF NAD 2.48447
38 1L7E NAI 2.48447
39 3CRZ FAD 2.48447
40 1JG3 ADN 3.10559
41 1HYE NAP 3.10559
42 1PVN MZP 3.10559
43 2OQ2 A3P 3.10559
44 1MI3 NAD 3.10559
45 1ELU CSS 3.10559
46 1GUZ NAD 3.10559
47 2Q1W NAD 3.10559
48 5ND5 TPP 3.10559
49 4HMT FMN 3.72671
50 4HMT NNV 3.72671
51 1SB8 NAD 3.72671
52 1SB8 UD2 3.72671
53 2XHK AKG 3.72671
54 5FJN BE2 3.72671
55 2IGA XX3 3.72671
56 5NUE NAD 3.72671
57 1QY1 PRZ 3.72671
58 2Q8Z NUP 3.72671
59 5DF1 58X 3.72671
60 5DF1 NAP 3.72671
61 1TLL FAD 3.72671
62 1I06 TZL 3.72671
63 4YZN 4K5 3.72671
64 2JEV NHQ 3.72671
65 6CDZ UMP 3.72671
66 2CWH PYC 4.34783
67 1JXZ BCA 4.34783
68 3KH5 ADP 4.34783
69 3KH5 AMP 4.34783
70 1HV9 UD1 4.34783
71 2X2M X2M 4.34783
72 3FZG SAM 4.34783
73 5DH3 5BS 4.34783
74 1NZY BCA 4.34783
75 4LA7 A1O 4.34783
76 1M2K APR 4.34783
77 5KOK R9T 4.34783
78 5KOK S9T 4.34783
79 5UIU 8CG 4.34783
80 1RP7 TZD 4.34783
81 5YLY FAD 4.34783
82 4B4D FAD 4.34783
83 4WKC BIG 4.34783
84 2DJH 3PD UM3 4.34783
85 3A16 PXO 4.96894
86 1R6D NAD 4.96894
87 3KO8 NAD 4.96894
88 5GWT SIN 4.96894
89 2C29 NAP 4.96894
90 1BXK NAD 4.96894
91 4HMX WUB 4.96894
92 3ACC 5GP 4.96894
93 3PY5 AMP 4.96894
94 1BZY IMU 4.96894
95 3VC3 C6P 4.96894
96 2C29 DQH 4.96894
97 5XWV NDP 4.96894
98 2HJR APR 4.96894
99 5L6G XYP 4.96894
100 3MAX LLX 4.96894
101 4A6F SEP 5
102 3LU1 NAD 5.21978
103 1Y52 BTN 5.55556
104 3W2E NAD 5.59006
105 3W2E FAD 5.59006
106 3A06 NDP 5.59006
107 6DNT NAD 5.59006
108 5K4W THR 5.59006
109 2RKV COA 5.59006
110 2RKV ZBA 5.59006
111 3FWN ATR 5.59006
112 3FWN 6PG 5.59006
113 3E3U NVC 5.59006
114 2X1L MET 5.59006
115 1YKI NFZ 5.59006
116 1YKI FMN 5.59006
117 3WMX NAD 5.59006
118 5BNS 4VM 5.59006
119 6BWL NAD 5.59006
120 4WKB TDI 5.59006
121 1ICV FMN 5.59006
122 2VAP GDP 5.59006
123 6ECW SAH 5.59006
124 4DI8 0GY 6.21118
125 4DI8 0GZ 6.21118
126 3ITJ CIT 6.21118
127 1ORR NAD 6.21118
128 4P8K FAD 6.21118
129 4PLT OXM 6.21118
130 1A8R GTP 6.21118
131 2VBU CDP 6.61765
132 2PZM UDP 6.8323
133 2PZM NAD 6.8323
134 5MLR NAP 6.8323
135 5MLR GRQ 6.8323
136 1ZEM NAD 6.8323
137 5U5G NAP 6.8323
138 4NKW PLO 6.8323
139 1VL0 NAI 7.45342
140 1HYH NAD 7.45342
141 3I6I NDP 8.07453
142 3RUG DB6 8.07453
143 1WLJ U5P 8.07453
144 4DQL FAD 8.07453
145 4DQL NAP 8.07453
146 4PTN PYR 8.07453
147 5JE0 AZ8 8.69565
148 5JE0 SAH 8.69565
149 1CF2 NAP 8.69565
150 4BCS BTN 8.8
151 1JQ3 AAT 9.93789
152 4I3V NAD 9.93789
153 1Z45 NAD 9.93789
154 2WEL K88 9.93789
155 3JQQ A2P 10.1266
156 3JQQ FAD 10.1266
157 3CAQ NDP 10.559
158 1DQN IMU 11.8012
159 4ZRN UPG 12.4224
160 4ZRN NAD 12.4224
161 3NRZ FAD 12.4224
162 1RKX NAD 12.4224
163 3A4V PYR 13.0435
164 3A4V NAD 13.0435
165 5XVG 8FX 13.0435
166 1P19 IMP 13.0435
167 1A59 COA 13.6646
168 2NYA MGD 14.2857
169 2FXV 5GP 14.9068
170 5YW5 ADE 15.528
171 3C1O NAP 15.528
172 3QF7 ANP 16
173 5Z75 NAD 16.1491
174 1WUR 8DG 16.1491
175 2EIX FAD 16.7702
176 4NV7 COA 18.6335
177 1EIX BMQ 19.2547
Pocket No.: 2; Query (leader) PDB : 4K6B; Ligand: GLU; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 4k6b.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZZ6 NAD None
2 1KGI T4A 0.787402
3 1PZM 5GP 2.48447
4 5ZM4 AKG 2.48447
5 5ZM4 9FU 2.48447
6 4N14 WR7 3.10559
7 6H1U ASP 3.10559
8 1M3U KPL 3.10559
9 4Q9M FPP 3.72671
10 6AYU F6P 3.72671
11 5KOK SAH 4.34783
12 2WPU KYT 4.40252
13 3AGC RCC 5.59006
14 3KV8 FAH 5.7554
15 1TB3 FMN 6.21118
16 3FRH SAH 6.8323
17 1XNG ATP 8.69565
18 5UKL SIX 9.67742
19 4PLG NAI 11.1801
20 4PLG OXM 11.1801
21 5Y6Q MCN 13.0435
22 1U1I NAD 14.2857
23 3B1Q NOS 17.3913
24 4M69 ANP 24.2236
Pocket No.: 3; Query (leader) PDB : 4K6B; Ligand: GLU; Similar sites found with APoc: 32
This union binding pocket(no: 3) in the query (biounit: 4k6b.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4WNP 3RJ None
2 3ZNN 4WL 2.48447
3 3ZNN FAD 2.48447
4 5Y1G AKB 3.10559
5 4GLL NAD 3.10559
6 4D9M 0JO 3.10559
7 5FJN FAD 3.72671
8 4KWD JF2 4.34783
9 5H4S RAM 4.34783
10 1LLU NAD 4.34783
11 5GWT NAD 4.96894
12 4PLT NAI 6.21118
13 4P8K 38C 6.21118
14 4DPL NAP 6.21118
15 2BKA NDP 6.21118
16 1NVT NAP 6.62021
17 2VNI FAD 7.45342
18 2VNI A2P 7.45342
19 1Q8Y ADP 7.45342
20 6EL3 NAP 8.07453
21 1GY8 UDP 8.07453
22 3FC2 IBI 8.07453
23 1S7N COA 11.8012
24 4M3P HCS 12.4224
25 5A1T NAI 13.6646
26 2BHZ MAL 14.2857
27 3CU0 GAL GAL SO4 14.9068
28 2D0V PQQ 15.2778
29 6CEP OXM 17.3913
30 6CEP NAD 17.3913
31 4PO2 ASN ARG LEU LEU LEU THR GLY 17.3913
32 5UAV TFB 24.2236
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