Receptor
PDB id Resolution Class Description Source Keywords
1S3Z 2 Å EC: 2.3.1.82 AMINOGLYCOSIDE N-ACETYLTRANSFERASE AAC(6')-IY IN COMPLEX WIT RIBOSTAMYCIN SALMONELLA ENTERITIDIS GNAT N-ACETYLTRANSFERASE ACETYLTRANSFERASE AMINOGLYCOSIDERIBOSTAMYCIN TRANSFERASE
Ref.: A BACTERIAL ACETYLTRANSFERASE CAPABLE OF REGIOSELEC N-ACETYLATION OF ANTIBIOTICS AND HISTONES CHEM.BIOL. V. 11 565 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:600;
B:601;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
NI A:700;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
RIO A:500;
B:501;
Valid;
Valid;
none;
none;
submit data
454.473 C17 H34 N4 O10 C1[C@...
SO4 A:800;
B:801;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VBQ 2 Å EC: 2.3.1.82 STRUCTURE OF AAC(6')-IY IN COMPLEX WITH BISUBSTRATE ANALOG C MONOMETHYL-ACETYLNEAMINE. SALMONELLA CHOLERAESUIS AMINOGLYCOSIDE ACETYLTRANSFERASE DRUG RESISTANCE BISUBSTRINHIBITOR TRANSFERASE
Ref.: KINETIC AND STRUCTURAL ANALYSIS OF BISUBSTRATE INHI THE SALMONELLA ENTERICA AMINOGLYCOSIDE 6'-N-ACETYLTRANSFERASE. BIOCHEMISTRY V. 47 579 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VBQ Ki < 41 uM BSJ C36 H62 N11 O23 P3 S CC(C)(CO[P....
2 1S3Z - RIO C17 H34 N4 O10 C1[C@H]([C....
3 1S5K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VBQ Ki < 41 uM BSJ C36 H62 N11 O23 P3 S CC(C)(CO[P....
2 1S3Z - RIO C17 H34 N4 O10 C1[C@H]([C....
3 1S5K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2VBQ Ki < 41 uM BSJ C36 H62 N11 O23 P3 S CC(C)(CO[P....
2 1S3Z - RIO C17 H34 N4 O10 C1[C@H]([C....
3 1S5K - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: RIO; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 RIO 1 1
2 NMY 0.784615 1
3 PAR 0.776119 1
4 B31 0.585366 0.90566
5 9CS 0.569444 0.958333
6 KNC 0.472973 0.9375
7 KAN 0.460526 0.958333
8 MYG 0.424242 0.791667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VBQ; Ligand: BSJ; Similar sites found: 507
This union binding pocket(no: 1) in the query (biounit: 2vbq.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0001519 0.57313 None
2 1I1D COA 0.00000007854 0.51714 None
3 1I1D 16G 0.0000007923 0.51492 None
4 1Y1A GSH 0.001808 0.51285 None
5 4F4S EFO 0.0002876 0.48955 None
6 4P9Z NMI PTR 02K ASN NH2 0.001162 0.46269 None
7 1ULE GLA GAL NAG 0.004688 0.46074 None
8 3ZUY TCH 0.0006925 0.46062 None
9 1NU4 MLA 0.01524 0.45748 None
10 1Q3P GLU ALA GLN THR ARG LEU 0.002613 0.44165 None
11 1ECM TSA 0.004312 0.43229 None
12 1YRE COA 0.000004297 0.42935 None
13 3F8C HT1 0.009115 0.42808 None
14 2E1A MSE 0.005435 0.42796 None
15 2WJG GDP 0.01314 0.4258 None
16 1YHM AHD 0.01168 0.42312 None
17 3GF2 SAL 0.02718 0.42173 None
18 4L6C 0BT 0.001072 0.41766 None
19 1C1L GAL BGC 0.03526 0.41046 None
20 2ORV 4TA 0.001445 0.40654 None
21 1FW1 GSH 0.009234 0.40559 None
22 6FIV 3TL 0.009935 0.40433 None
23 3WQM B29 0.002126 0.40112 None
24 4N7C AEF 0.001596 0.47662 1.21212
25 1EYQ NAR 0.0004124 0.4761 1.21212
26 3PMA SCR 0.002297 0.44957 1.21212
27 2CE7 ADP 0.0008551 0.44639 1.21212
28 4B8V NDG NAG NAG NAG 0.0006533 0.41097 1.21212
29 2FH5 GTP 0.003184 0.40836 1.21212
30 1QDS PGA 0.01619 0.4034 1.21212
31 1YOA FAD 0.0001699 0.44474 1.25786
32 2Q8M AMP 0.00006888 0.49578 1.81818
33 2DTJ THR 0.0002849 0.47671 1.81818
34 2OWZ F6P 0.000426 0.4484 1.81818
35 2ZW5 COA 0.00000843 0.44664 1.81818
36 2VQ5 LDP 0.01314 0.44479 1.81818
37 2OWZ CIT 0.005343 0.44455 1.81818
38 2C2A ADP 0.0006615 0.44125 1.81818
39 3BRE C2E 0.01338 0.42563 1.81818
40 1NXJ GLV 0.006236 0.42539 1.81818
41 2VQ5 HBA 0.02483 0.41803 1.81818
42 4JHG ZEA 0.004539 0.41377 1.81818
43 3LXR GDP 0.01823 0.41111 1.81818
44 1MXI SAH 0.001114 0.42859 1.875
45 2VWA PTY 0.03291 0.41075 1.9802
46 2O66 FLC 0.01161 0.42325 2.22222
47 2YLD CMO 0.001625 0.46903 2.3622
48 2HJ3 FAD 0.001493 0.41634 2.4
49 2BO4 FLC 0.0005959 0.49758 2.42424
50 3LST SAH 0.0002261 0.46917 2.42424
51 1AUX AGS 0.000279 0.45527 2.42424
52 4KGM ATP 0.001432 0.44237 2.42424
53 1U5R ATP 0.0008986 0.44079 2.42424
54 4RJK PYR 0.01576 0.43387 2.42424
55 3P7I P7I 0.00956 0.42208 2.42424
56 3I0O SMI 0.01368 0.41996 2.42424
57 2ZJF BSU 0.006836 0.4191 2.42424
58 2VPR TDC 0.004519 0.41384 2.42424
59 2Z9V PXM 0.0167 0.41129 2.42424
60 1Q0H NDP 0.0004358 0.41029 2.42424
61 4E28 9MZ 0.03154 0.40784 2.42424
62 1Q0H FOM 0.0004753 0.40723 2.42424
63 3I0O ADP 0.01482 0.40501 2.42424
64 1GEE NAD 0.0004188 0.40434 2.42424
65 1U7Z PMT 0.0002397 0.40045 2.42424
66 4RJK TPP 0.001175 0.40009 2.42424
67 3E81 SLB 0.005032 0.43991 2.43902
68 1PUA COA 0.00002328 0.53434 2.45399
69 4DS0 A2G GAL NAG FUC 0.04305 0.41438 2.45399
70 1QSR ACO 0.000002994 0.4709 2.46914
71 1QSN COA 0.00003126 0.40355 2.46914
72 1Q2D COA 0.00002224 0.40271 2.46914
73 1UW1 ADP 0.01077 0.42475 2.5
74 3NCQ ATP 0.0003206 0.43952 2.52101
75 1TUV VK3 0.01961 0.43554 2.63158
76 1UCN ADP 0.003344 0.42302 2.63158
77 2JDC CAO 0.00000006375 0.5362 3.0303
78 4WBD ADP 0.002579 0.46641 3.0303
79 1GOJ ADP 0.004741 0.4655 3.0303
80 3GM5 CIT 0.002333 0.46159 3.0303
81 1FP2 SAH 0.0006729 0.4505 3.0303
82 1UF5 CDT 0.001256 0.44984 3.0303
83 1Z45 GAL 0.002528 0.44773 3.0303
84 3CXQ GLP 0.003821 0.44539 3.0303
85 1ZED PNP 0.007907 0.44254 3.0303
86 1S7N COA 0.000006914 0.43779 3.0303
87 4AG5 ADP 0.01436 0.43501 3.0303
88 1MZV AMP 0.003692 0.43028 3.0303
89 1FP2 HMO 0.001771 0.42948 3.0303
90 4ORR PE3 0.0002968 0.42509 3.0303
91 3O2K QRP 0.005391 0.42341 3.0303
92 1C7S CBS 0.004926 0.42059 3.0303
93 3DX5 DHB 0.006594 0.41975 3.0303
94 4WBD CIT 0.03133 0.41854 3.0303
95 3O2K DST 0.01492 0.41347 3.0303
96 1TMX HGX 0.008273 0.411 3.0303
97 4KOA NDP 0.005028 0.40829 3.0303
98 1AX2 NDG GAL 0.02052 0.40729 3.0303
99 3CKJ CIT 0.001003 0.40522 3.0303
100 1SJD NPG 0.001762 0.40376 3.0303
101 4BQS ADP 0.03581 0.40328 3.0303
102 1WNG SAH 0.004633 0.40256 3.0303
103 1A5V Y3 0.002247 0.45595 3.16456
104 3BW2 FMN 0.0007171 0.40058 3.25203
105 2FR6 CTN 0.0006832 0.43633 3.42466
106 2FR6 URI 0.000731 0.43526 3.42466
107 1T0S BML 0.0003667 0.517 3.48837
108 3QDY A2G GAL 0.00009301 0.54726 3.4965
109 3QDT A2G GAL 0.0001383 0.53851 3.4965
110 3QDY CBS 0.008763 0.44035 3.4965
111 3D3H M4O 0.007026 0.40646 3.5
112 2OFE NAG 0.003926 0.45089 3.52113
113 2OFD NGA 0.008348 0.43536 3.52113
114 3R96 AMP 0.000001134 0.52441 3.63636
115 2ZWS PLM 0.004159 0.49015 3.63636
116 2C5S AMP 0.0004553 0.47426 3.63636
117 2FOI JPA 0.0005297 0.46547 3.63636
118 1F1V DHY 0.0007931 0.4639 3.63636
119 3SCH TB6 0.002863 0.45739 3.63636
120 3A2Y TS5 0.0006453 0.44166 3.63636
121 2IZ1 ATR 0.006493 0.44054 3.63636
122 4OB6 S2T 0.0009197 0.4404 3.63636
123 2NCD ADP 0.0116 0.44036 3.63636
124 4IMG NGF 0.0004992 0.43698 3.63636
125 4PNI KQQ 0.0001681 0.43673 3.63636
126 4C2G ALA ALA ALA ALA 0.003572 0.43581 3.63636
127 1Q11 TYE 0.00499 0.43463 3.63636
128 4KCT FDP 0.00353 0.42646 3.63636
129 4KCT PYR 0.006057 0.42593 3.63636
130 1ZZ7 S0H 0.007998 0.42553 3.63636
131 3SJ7 NDP 0.0001381 0.42466 3.63636
132 1I0Z OXM 0.03338 0.42317 3.63636
133 4IHQ ADP 0.008339 0.41995 3.63636
134 2FGQ MLT 0.01884 0.41855 3.63636
135 1I0Z NAI 0.0001806 0.41789 3.63636
136 1JQ5 NAD 0.004522 0.41633 3.63636
137 1XIU REA 0.003098 0.41617 3.63636
138 1I36 NAP 0.002047 0.40813 3.63636
139 1L2T ATP 0.001907 0.40585 3.63636
140 1TDF NAP 0.002278 0.40484 3.63636
141 3L0E G58 0.001036 0.40479 3.63636
142 3MTW M3R 0.007925 0.40445 3.63636
143 1SQ5 ADP 0.01349 0.40278 3.63636
144 2WIC GNP 0.03143 0.40272 3.63636
145 1KOL NAD 0.0003024 0.40231 3.63636
146 1SQ5 PAU 0.02656 0.40227 3.63636
147 1VE3 SAM 0.006604 0.40038 3.63636
148 3I8T LBT 0.02352 0.40463 3.65854
149 1H8P PC 0.01171 0.44746 3.66972
150 1CM0 COA 0.0000037 0.59163 4.24242
151 3W54 RNB 0.00003166 0.50283 4.24242
152 1GJW GLC 0.0006901 0.49445 4.24242
153 2CBZ ATP 0.001965 0.48909 4.24242
154 4AF5 CIT 0.0009097 0.48094 4.24242
155 4H6U ACO 0.000001906 0.45791 4.24242
156 3QV9 QV7 0.002425 0.45443 4.24242
157 2Q3M MLA 0.008769 0.45413 4.24242
158 3SIX GDP 0.0008642 0.45126 4.24242
159 2NVK NAP 0.002183 0.45056 4.24242
160 1F5F DHT 0.0007997 0.43817 4.24242
161 1RYD GLC 0.008277 0.43554 4.24242
162 3UST FAD 0.00136 0.43388 4.24242
163 1GJW MAL 0.003374 0.43191 4.24242
164 1B74 DGN 0.01808 0.43082 4.24242
165 3I8P 840 0.001681 0.43035 4.24242
166 2YCD GTB 0.002859 0.43018 4.24242
167 3QP4 HL0 0.002123 0.42645 4.24242
168 3RK0 AMP 0.003571 0.42626 4.24242
169 4OYA 1VE 0.001481 0.42285 4.24242
170 1LYX PGA 0.00352 0.42214 4.24242
171 2JL1 NAP 0.0008457 0.42114 4.24242
172 1KDK DHT 0.0008484 0.4211 4.24242
173 1E4E PHY 0.003275 0.41922 4.24242
174 3I6B KDO 0.02733 0.41728 4.24242
175 1OYB HBA 0.0004871 0.41491 4.24242
176 1A4K FRA 0.01891 0.41348 4.24242
177 3N5C GDP 0.02501 0.41137 4.24242
178 1E4E ADP 0.003851 0.40894 4.24242
179 1KYQ NAD 0.004256 0.40735 4.24242
180 2ZO9 MLI 0.0131 0.40526 4.24242
181 3PQC GDP 0.02661 0.40299 4.24242
182 3PC3 P1T 0.003682 0.40273 4.24242
183 2ZFI ADP 0.03732 0.40235 4.24242
184 1MQ0 BRD 0.01119 0.40228 4.28571
185 4CVN ADP 0.03724 0.40994 4.37956
186 2PR5 FMN 0.0003517 0.44684 4.54545
187 1OGD RIP 0.001789 0.45438 4.58015
188 4G28 0W8 0.0009442 0.46065 4.69799
189 3F81 STT 0.002004 0.48807 4.84848
190 1T10 F6P 0.0005896 0.48252 4.84848
191 2W8Q SIN 0.002786 0.46477 4.84848
192 1O68 KIV 0.001408 0.459 4.84848
193 4JP3 CIT 0.0009477 0.44963 4.84848
194 1NF8 BOG 0.01143 0.44362 4.84848
195 3OCZ SRA 0.000596 0.44295 4.84848
196 3ZGE ASP 0.01229 0.4394 4.84848
197 9LDT OXM 0.02351 0.43845 4.84848
198 3L24 GOA 0.01864 0.43671 4.84848
199 3ZF8 GDP 0.002936 0.43444 4.84848
200 3ULK NDP 0.0004736 0.42967 4.84848
201 3CF6 SP1 0.001836 0.42887 4.84848
202 4WX0 HXD 0.002577 0.42322 4.84848
203 2DWU DGL 0.008624 0.41932 4.84848
204 2Q09 DI6 0.008774 0.419 4.84848
205 4UAL 3FV 0.003512 0.41413 4.84848
206 4W6Z ETF 0.04951 0.41394 4.84848
207 1QS8 IVA VAL VAL STA ALA STA 0.003347 0.41116 4.84848
208 2IMP NAI 0.002474 0.40736 4.84848
209 1E1O LYS 0.001647 0.40158 4.84848
210 1UJ2 C5P 0.001712 0.40105 4.84848
211 4PTZ FMN 0.006637 0.4003 4.84848
212 1A8S PPI 0.0173 0.40025 4.84848
213 1I1Q TRP 0.02392 0.40015 4.84848
214 2W3L DRO 0.02703 0.42809 4.86111
215 4KOT CE3 0.00000008362 0.56732 4.93827
216 3B9Q MLI 0.008333 0.43417 4.96689
217 1GPJ CIT 0.0001867 0.51345 5.45455
218 4B5P ACO 0.000001448 0.48691 5.45455
219 2VDJ HSE 0.004956 0.45951 5.45455
220 2Q37 3AL 0.004214 0.44344 5.45455
221 4HZO COA 0.005366 0.43323 5.45455
222 2IXB NAD 0.00005502 0.42928 5.45455
223 3HF3 FMN 0.0005879 0.42649 5.45455
224 4WB7 ATP 0.003514 0.42433 5.45455
225 1BO4 COA 0.0000001713 0.42291 5.45455
226 4JWX 1N4 0.01018 0.42088 5.45455
227 1TIW TFB 0.0001074 0.41705 5.45455
228 1TIW FAD 0.0001074 0.41705 5.45455
229 1B63 ANP 0.001228 0.41566 5.45455
230 2JBH 5GP 0.01054 0.41556 5.45455
231 1W3R PYR 0.03616 0.41533 5.45455
232 2DTX BMA 0.0001964 0.41117 5.45455
233 2OAT PFM 0.004277 0.41092 5.45455
234 3HB5 E2B 0.001316 0.40785 5.45455
235 4EPM AMP 0.001708 0.40743 5.45455
236 4E1M TQ2 0.01468 0.40519 5.45455
237 4L1F COS 0.002176 0.40395 5.45455
238 2GJN FMN 0.001429 0.40353 5.45455
239 3NFZ 3NF 0.01327 0.40308 5.45455
240 1SJW NGV 0.01028 0.4001 5.55556
241 3R51 MMA 0.02886 0.42657 5.625
242 1BTN I3P 0.00003494 0.61947 5.66038
243 1CKM GTP 0.01353 0.41087 5.75758
244 2IL4 COA 0.0000004186 0.4405 5.82524
245 4O8A 2OP 0.00116 0.50062 6.06061
246 2VZZ SCA 0.000006388 0.47412 6.06061
247 3NNF AKG 0.002426 0.46079 6.06061
248 5A2J ALA PRO ASP THR ARG PRO 0.006451 0.45734 6.06061
249 1M4I KAN 0.00009065 0.45534 6.06061
250 1DXY COI 0.01037 0.45027 6.06061
251 2YNC YNC 0.0001322 0.44802 6.06061
252 1FBL HTA 0.002003 0.44137 6.06061
253 1EB9 HBA 0.001944 0.43698 6.06061
254 2GWD GLU 0.00403 0.43356 6.06061
255 2QV7 ADP 0.001541 0.4318 6.06061
256 4O8A FAD 0.00009678 0.42234 6.06061
257 4LHM AZZ 0.01302 0.42095 6.06061
258 2F2U M77 0.007676 0.41699 6.06061
259 3PMD 11A 0.008096 0.41602 6.06061
260 1G8S MET 0.03212 0.415 6.06061
261 1DXY NAD 0.0005226 0.41397 6.06061
262 4CCN OGA 0.02691 0.41115 6.06061
263 2B7N NTM 0.0219 0.41054 6.06061
264 1I2L DCS 0.002865 0.40999 6.06061
265 4DKX GDP 0.02708 0.40959 6.06061
266 5EQU AKG 0.04899 0.40848 6.06061
267 1B55 4IP 0.00892 0.40618 6.06061
268 4BG1 OGA 0.00342 0.40384 6.06061
269 4BG1 IVL 0.00342 0.40384 6.06061
270 3BY8 MLT 0.009463 0.4387 6.33803
271 3IT7 TLA 0.02064 0.42902 6.59341
272 1SS4 GSH 0.0007485 0.54196 6.66667
273 2ZPA ACO 0.000000008507 0.53325 6.66667
274 2BZ1 TAU 0.0007496 0.53312 6.66667
275 1BOB ACO 0.00000888 0.53144 6.66667
276 1SS4 CIT 0.001246 0.51317 6.66667
277 1WRA PC 0.001125 0.48407 6.66667
278 4M5P MLA 0.006851 0.46816 6.66667
279 3CEV ARG 0.002011 0.44654 6.66667
280 1JI0 ATP 0.008392 0.44503 6.66667
281 1QH9 LAC 0.007222 0.43835 6.66667
282 1KYZ FER 0.0000679 0.43749 6.66667
283 1KYZ SAH 0.000802 0.43379 6.66667
284 3BHO B4P 0.0338 0.42963 6.66667
285 1A5Z OXM 0.03006 0.41947 6.66667
286 1Y42 TYR 0.01139 0.4187 6.66667
287 1MOQ GLP 0.003709 0.40953 6.66667
288 1V6A TRE 0.02465 0.40817 6.66667
289 2C31 TZD 0.003221 0.40088 6.66667
290 2QJN KDG 0.01228 0.40068 6.66667
291 4EXO PYR 0.002429 0.47527 6.84932
292 4F8L GAL 0.01326 0.46099 6.89655
293 2JGS BTN 0.01836 0.41172 6.92308
294 1E5F PLP 0.006227 0.40848 6.93069
295 4NAO AKG 0.01557 0.42805 7.05521
296 2WPX ACO 0.000000007173 0.49857 7.27273
297 4M51 BEZ 0.001997 0.4796 7.27273
298 1KUV CA5 0.0000115 0.47392 7.27273
299 1CJW COT 0.000009232 0.46393 7.27273
300 1UOU CMU 0.0004928 0.45583 7.27273
301 1IYK MYA 0.00007702 0.44404 7.27273
302 1WGC SIA GAL BGC 0.02431 0.43764 7.27273
303 3P3N AKG 0.01382 0.42496 7.27273
304 2R5T ANP 0.001005 0.4223 7.27273
305 3L6R MLI 0.02049 0.42216 7.27273
306 2WA4 069 0.005243 0.41949 7.27273
307 1T0I FMN 0.002221 0.41766 7.27273
308 1QPB TPP 0.0005438 0.41343 7.27273
309 4B7E OGA 0.01935 0.41303 7.27273
310 4USS GSH 0.01611 0.41199 7.27273
311 3QO8 SSA 0.005238 0.41137 7.27273
312 4EPL JAI 0.005561 0.41037 7.27273
313 1X8X TYR 0.01117 0.41017 7.27273
314 2OHV NHL 0.01465 0.40938 7.27273
315 1UXG NAD 0.0002711 0.40612 7.27273
316 1UXG FUM 0.0002711 0.40612 7.27273
317 1S8F GDP 0.01179 0.40139 7.27273
318 1GU3 BGC BGC BGC BGC BGC 0.009754 0.4217 7.38255
319 1Y75 NAG 0.0003228 0.48067 7.62712
320 1GXU 2HP 0.0001305 0.52346 7.69231
321 4DN8 BMA 0.02172 0.4156 7.69231
322 3PNA CMP 0.0005579 0.47047 7.79221
323 2VEZ G6P 0.0000003218 0.52276 7.87879
324 2VEZ ACO 0.0000004231 0.51353 7.87879
325 2ZJ5 ADP 0.0001661 0.50768 7.87879
326 3ZPG 5GP 0.001459 0.49536 7.87879
327 3DGB MUC 0.0002647 0.47209 7.87879
328 2VAR KDF 0.0007853 0.45294 7.87879
329 2DPY ADP 0.007647 0.44721 7.87879
330 3T1A 5MA 0.0004615 0.44254 7.87879
331 1QZZ SAM 0.00234 0.42914 7.87879
332 3TFC PEP 0.006914 0.42834 7.87879
333 2VAR AMP 0.004257 0.4277 7.87879
334 2VAR KDG 0.004159 0.42357 7.87879
335 3D2Y AH0 ALA FGA LYS 0.001572 0.42313 7.87879
336 2WZM NA7 0.009644 0.41423 7.87879
337 2R40 20E 0.0009966 0.41176 7.87879
338 2ZYF AKG 0.01379 0.41051 7.87879
339 4N02 FNR 0.0009663 0.40408 7.87879
340 2BOI MFU 0.01021 0.42081 7.9646
341 3UEC ALA ARG TPO LYS 0.0004092 0.50556 8.21918
342 2QLX RM4 0.01038 0.43673 8.33333
343 1Y2W NAG 0.001501 0.47065 8.4507
344 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.003186 0.48097 8.48485
345 2JFV FLC 0.002557 0.45971 8.48485
346 4B9E FAH 0.004378 0.45514 8.48485
347 3BK2 U5P 0.001622 0.44016 8.48485
348 2Y6P CTP 0.007797 0.41671 8.48485
349 2DVZ GLU 0.008656 0.41481 8.48485
350 4B4D FAD 0.001715 0.41425 8.48485
351 3EE4 MYR 0.002011 0.41185 8.48485
352 3TKA CTN 0.03506 0.41124 8.48485
353 1AUA BOG 0.02 0.40778 8.48485
354 5FVJ ACO 0.02142 0.40646 8.48485
355 3TKA SAM 0.003143 0.40512 8.48485
356 1W7J ADP BEF 0.006563 0.40395 8.48485
357 1QD0 RR6 0.01035 0.40747 8.59375
358 1LNX URI 0.01818 0.40964 8.64198
359 2FT0 ACO 0.0000002864 0.63749 8.93617
360 4COQ SAN 0.000546 0.49142 9.09091
361 1Y7P RIP 0.001431 0.48695 9.09091
362 1XX4 BAM 0.004861 0.46771 9.09091
363 1TV5 N8E 0.004375 0.46027 9.09091
364 4Q0A 4OA 0.0004162 0.44417 9.09091
365 3LXI CAM 0.01027 0.44075 9.09091
366 1H16 PYR 0.01164 0.44061 9.09091
367 1QY1 PRZ 0.0003214 0.43948 9.09091
368 2Y7P SAL 0.007834 0.42593 9.09091
369 1DLJ NAI 0.0001501 0.42545 9.09091
370 3UWB BB2 0.01748 0.4201 9.09091
371 3M6W SAM 0.003212 0.41954 9.09091
372 1DLJ UGA 0.0002904 0.41725 9.09091
373 1A59 CIT 0.04095 0.40723 9.09091
374 1S9D GDP 0.03362 0.40123 9.09091
375 1PR9 NAP 0.0002419 0.40042 9.09091
376 3D3W NAP 0.00025 0.40008 9.09091
377 4LWU 20U 0.01356 0.41744 9.41177
378 3TO7 COA 0.000004902 0.46189 9.69697
379 3SQG COM 0.009255 0.46093 9.69697
380 3I51 45C 0.0005019 0.46082 9.69697
381 1Z44 FMN 0.001089 0.44226 9.69697
382 1Z42 FMN 0.001793 0.43841 9.69697
383 1Z44 NPO 0.03741 0.4347 9.69697
384 1EYE PMM 0.003639 0.42593 9.69697
385 4NON GDP 0.01358 0.42505 9.69697
386 2YFT DQR 0.002993 0.42072 9.69697
387 3SHR CMP 0.007283 0.41795 9.69697
388 3QP6 HL6 0.007738 0.40862 9.69697
389 1Z41 FMN 0.008092 0.4041 9.69697
390 2Q28 ADP 0.005163 0.40088 9.69697
391 4CCO OGA 0.00361 0.44087 10
392 1ZS6 ADP 0.005181 0.42886 10.0592
393 1SC3 MLI 0.004969 0.45946 10.2273
394 1RYI GOA 0.006999 0.47986 10.303
395 4C6F DOR 0.001367 0.44829 10.303
396 4C6F NCD 0.001367 0.44829 10.303
397 1RZM E4P 0.00694 0.44532 10.303
398 1RZM PEP 0.004115 0.43835 10.303
399 1IID NHM 0.0005634 0.43016 10.303
400 2WMO GTP 0.00354 0.42205 10.303
401 3A1I UNU 0.01171 0.40931 10.303
402 4L7I SAM 0.006735 0.40353 10.303
403 3EW2 BTN 0.002781 0.44048 10.3704
404 2IYG FMN 0.01179 0.40516 10.4839
405 2WPW ACO 0.000000007284 0.7137 10.9091
406 4B16 NAG 0.001263 0.50868 10.9091
407 1PEA ACM 0.01678 0.43247 10.9091
408 2EJU SAH 0.004966 0.4049 10.9091
409 3M31 FAD 0.00213 0.40426 10.9091
410 3GJB AKG 0.001462 0.45249 11.5152
411 2HNK SAH 0.001175 0.42376 11.5152
412 2P4Q FLC 0.0152 0.42299 11.5152
413 2JAR UMP 0.001609 0.42277 11.5152
414 1YRX FMN 0.0005257 0.45472 11.5702
415 4Q3F TLA 0.01161 0.42856 11.9658
416 2Q8H TF4 0.00685 0.45982 12.1212
417 4C2X NHW 0.000123 0.45444 12.1212
418 3MAG 3MA 0.02676 0.43531 12.1212
419 4C2Z MYA 0.0001662 0.42431 12.1212
420 2QF7 COA 0.003756 0.42103 12.1212
421 1Y9Q MED 0.02131 0.41599 12.1212
422 2FYU FDN 0.003064 0.41256 12.1212
423 1R6W 164 0.005774 0.40975 12.1212
424 1P1M MET 0.002348 0.40612 12.1212
425 3MAG SAH 0.004258 0.40386 12.1212
426 5RHN 8BR 0.002813 0.42176 12.1739
427 3KJQ B94 0.003753 0.42538 12.1951
428 4NSQ COA 0.000003619 0.57796 12.7273
429 2Q1A 2KT 0.0009267 0.48056 12.7273
430 2HFK E4H 0.00141 0.45898 12.7273
431 3NKS ACJ 0.0007457 0.4439 12.7273
432 4J0Q GDP 0.01241 0.43132 12.7273
433 4LIT AKG 0.009827 0.42658 12.7273
434 1XE7 GUN 0.03122 0.42474 12.7273
435 3K3K A8S 0.001261 0.42267 12.7273
436 3PXP MYR 0.002484 0.41976 12.7273
437 3PLN U5P 0.01167 0.41823 12.7273
438 4G4S LDZ 0.006306 0.4046 12.7273
439 3VTF UPG 0.00437 0.40346 12.7273
440 3TE4 ACO 0.00000003214 0.5122 13.0233
441 2YDW WSH 0.002529 0.43715 13.0719
442 3U1T MLI 0.0008322 0.49047 13.3333
443 2XDQ MGX 0.003016 0.47868 13.3333
444 3KYF 5GP 5GP 0.0003663 0.47215 13.3333
445 3BAZ NAP 0.0009726 0.40881 13.3333
446 2Z9C FMN 0.003124 0.40865 13.3333
447 2ZB3 NDP 0.0008431 0.40145 13.3333
448 1DL7 NCH 0.02692 0.44308 13.7615
449 4I67 G G G RPC 0.01336 0.42543 13.7931
450 3TDC 0EU 0.0000716 0.58592 13.9394
451 4WVH ASP HIS ASP ALA HIS ALA 0.003374 0.43687 13.9394
452 3U6B GDP 0.01355 0.42931 13.9394
453 3HAZ NAD 0.00008629 0.42717 13.9394
454 4NTX AMR 0.02186 0.40828 13.9394
455 2QCX PF1 0.0261 0.40702 13.9394
456 3VCA PRO 0.02542 0.40529 13.9394
457 2NXW TPP 0.0003717 0.40287 13.9394
458 3SJ0 DXC 0.0103 0.4369 14.0845
459 3KMT SAH 0.002263 0.42972 14.2857
460 4AVB ACO 0.000002105 0.47169 14.5455
461 2YIV YIV 0.007894 0.44921 14.5455
462 1O9U ADZ 0.01907 0.43619 14.5455
463 2YIV NBN 0.01144 0.43466 14.5455
464 2RHQ GAX 0.0005048 0.42873 14.5455
465 4NM5 ADP 0.0009634 0.41922 14.5455
466 3V1V GST 0.003714 0.41322 14.5455
467 3ZJ0 ACO 0.0000003056 0.49916 15.1515
468 1NML CIT 0.0024 0.44873 15.1515
469 3E5H GNP 0.0007101 0.41652 15.1685
470 2P69 PLP 0.001128 0.46965 15.7576
471 1ML4 PAL 0.003314 0.40601 15.7576
472 2V5E SCR 0.0005198 0.52995 15.8416
473 2ZSC BTN 0.002382 0.42884 16.3121
474 3LTW HLZ 0.006799 0.43959 16.3636
475 1H8G CHT 0.01509 0.45772 16.8421
476 4U9W COA 0.000000000002041 0.7594 16.9697
477 3D2M COA 0.0000001804 0.52504 16.9697
478 1TIQ COA 0.0000000005445 0.50259 16.9697
479 2Y69 CHD 0.01135 0.44168 17.0543
480 4KVX ACO 0.0000000004703 0.59179 17.3077
481 1H2M OGA 0.001567 0.46977 17.3077
482 2CNT COA 0.0000002208 0.50012 17.5
483 2B4B COA 0.00000001394 0.6737 18.1818
484 2Q4V ACO 0.000000001279 0.58081 18.1818
485 2B4D COA 0.00000001202 0.50999 18.1818
486 3DER ALA LYS 0.0002793 0.4416 18.1818
487 4GO7 THR 0.003857 0.42949 18.1818
488 1N9L FMN 0.001972 0.41954 18.3486
489 1GHE ACO 0.000000001037 0.56682 20
490 2O2C G6Q 0.005646 0.41012 20.6061
491 3RF4 FUN 0.000912 0.46735 20.6897
492 1E2S CSN 0.0003401 0.46218 21.2121
493 3K9U ACO 0.0000005504 0.43878 21.3836
494 2PWY SAH 0.00001447 0.40683 21.8182
495 4QC6 30N 0.000008923 0.53652 22.4242
496 1WWZ ACO 0.0000005483 0.508 22.6415
497 2XN5 FUN 0.0397 0.40095 22.8571
498 3NHB ADP 0.008161 0.44932 24.2424
499 3DG6 MUC 0.000484 0.45614 24.8485
500 1CBF SAH 0.001744 0.42973 24.8485
501 1P0H COA 0.00001024 0.517 25.4545
502 1P0H ACO 0.00001081 0.517 25.4545
503 3F8K COA 0.0000002821 0.4909 27.5
504 4P4T GDP 0.004389 0.40686 27.8788
505 4R3L COA 0.002648 0.42071 28.4848
506 3SXN COA 0.000002965 0.44741 35.7576
507 1QSM ACO 0.0000000005312 0.59032 39.4737
Pocket No.: 2; Query (leader) PDB : 2VBQ; Ligand: BSJ; 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: 2vbq.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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