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Receptor
PDB id Resolution Class Description Source Keywords
2BUE 1.7 Å EC: 2.3.1.82 STRUCTURE OF AAC(6')-IB IN COMPLEX WITH RIBOSTAMYCIN AND COENZYME A. ESCHERICHIA COLI GNAT TRANSFERASE AMINOGLYCOSIDE FLUOROQUINOLONE ACETYLTRANSFERASE ANTIBIOTIC RESISTANCE
Ref.: MECHANISTIC AND STRUCTURAL ANALYSIS OF AMINOGLYCOSIDE N-ACETYLTRANSFERASE AAC(6')-IB AND ITS BIFUNCTIONAL, FLUOROQUINOLONE-ACTIVE AAC(6')-IB-CR VARIANT. BIOCHEMISTRY V. 47 9825 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1202;
A:1203;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
COA A:1200;
Valid;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
RIO A:1201;
Valid;
none;
submit data
454.473 C17 H34 N4 O10 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V0C 2.2 Å EC: 2.3.1.82 STRUCTURE OF AAC(6')-IB IN COMPLEX WITH KANAMYCIN C AND ACETYLCOA. ESCHERICHIA COLI GNAT TRANSFERASE AMINOGLYCOSIDE FLUOROQUINOLONE ACETYLTRANSFERASE ANTIBIOTIC RESISTANCE
Ref.: MECHANISTIC AND STRUCTURAL ANALYSIS OF AMINOGLYCOSIDE N-ACETYLTRANSFERASE AAC(6')-IB AND ITS BIFUNCTIONAL, FLUOROQUINOLONE-ACTIVE AAC(6')-IB-CR VARIANT. BIOCHEMISTRY V. 47 9825 2008
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PRB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1V0C - KNC C18 H36 N4 O11 C1[C@@H]([....
3 2VQY - PAR C23 H45 N5 O14 C1[C@H]([C....
4 2QIR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 2BUE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PRB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1V0C - KNC C18 H36 N4 O11 C1[C@@H]([....
3 2VQY - PAR C23 H45 N5 O14 C1[C@H]([C....
4 2QIR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 2BUE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2PRB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1V0C - KNC C18 H36 N4 O11 C1[C@@H]([....
3 2VQY - PAR C23 H45 N5 O14 C1[C@H]([C....
4 2QIR - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 2BUE - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 211
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 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
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 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Ligand no: 2; Ligand: RIO; Similar ligands found: 13
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 XXX 0.584615 0.875
6 9CS 0.569444 0.958333
7 7QM 0.532468 0.92
8 LIV 0.52809 0.979592
9 KNC 0.472973 0.9375
10 KAN 0.460526 0.958333
11 OZY 0.451327 0.705882
12 MYG 0.424242 0.791667
13 7XP 0.4125 0.9375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V0C; Ligand: ACO; Similar sites found with APoc: 335
This union binding pocket(no: 1) in the query (biounit: 1v0c.bio1) has 67 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 4KVX ACO None
3 1GXU 2HP None
4 1JI0 ATP None
5 3KPE TM3 None
6 1LNX URI None
7 5N26 CPT None
8 1RZX ACE VAL LYS GLU SER LEU VAL None
9 6BR8 6OU None
10 2XHK AKG None
11 4V2O CLQ None
12 4IBF 1D5 None
13 3TA2 AKG None
14 1SDW IYT 0.990099
15 1I06 TZL 1.11111
16 2JEV NHQ 1.14943
17 2B4D COA 1.16959
18 2B4B COA 1.16959
19 1RRC ADP 1.48515
20 3B9Q MLI 1.48515
21 3LRE ADP 1.48515
22 1OXV ANP 1.48515
23 6D5X ATP 1.53061
24 4IAW LIZ 1.59574
25 1GHE ACO 1.69492
26 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 1.9802
27 2GWH PCI 1.9802
28 2GN2 C5P 1.9802
29 5U83 ZN8 1.9802
30 5W6Y TRP 1.9802
31 2EFX NFA 1.9802
32 4I90 CHT 1.9802
33 2WOR 2AN 2
34 5URY PAM 2.05479
35 1M4I COA 2.20994
36 1M4I KAN 2.20994
37 1M4I PAP 2.20994
38 2DTJ THR 2.24719
39 5AIG VPR 2.4
40 4AG9 COA 2.42424
41 3IA4 MTX 2.46914
42 2BHW NEX 2.47525
43 2OG2 MLI 2.47525
44 3NHB ADP 2.47525
45 4AG5 ADP 2.47525
46 3MA0 XYP 2.47525
47 5CQG 55C 2.47525
48 3R6K FUC GAL GLA 2.47525
49 3SHR CMP 2.47525
50 4C2X NHW 2.47525
51 3UIE ANP 2.5
52 6G96 ACO 2.84091
53 5LX9 OLB 2.9703
54 1B0U ATP 2.9703
55 1JJV ATP 2.9703
56 1NF8 BOG 2.9703
57 1F9V ADP 2.9703
58 3A4M ADP 2.9703
59 3RGA LSB 2.9703
60 5JZJ AN2 2.9703
61 1IID NHM 2.9703
62 3P4X ADP 2.9703
63 5UC4 83S 2.9703
64 1JIL 485 2.9703
65 2FT0 ACO 2.9703
66 1VG1 GDP 3.24324
67 3TDC 0EU 3.46535
68 1YC4 43P 3.46535
69 5GVR LMR 3.46535
70 2DPY ADP 3.46535
71 6BMS POV 3.46535
72 2YFB SIN 3.46535
73 5TVJ COA 3.46535
74 5NE2 DGL 3.46535
75 5NC1 NAG 3.46535
76 5TVJ 7LF 3.46535
77 1XMY ROL 3.46535
78 2IXE ATP 3.46535
79 4H6U ACO 3.5
80 1BO4 COA 3.57143
81 5DCH 1YO 3.64583
82 3K9U ACO 3.77358
83 4EJ1 FOL 3.77358
84 1Y63 ADP 3.80435
85 1S7N COA 3.84615
86 5ZI9 FLC 3.84615
87 4G86 BNT 3.9604
88 4U00 ADP 3.9604
89 1Q19 SSC 3.9604
90 4DE3 DN8 3.9604
91 2VWA PTY 3.9604
92 6C0B PAM 3.9604
93 2YNC YNC 3.9604
94 3RC3 ANP 3.9604
95 4AVV CD 3.9604
96 2YNE YNE 3.9604
97 2YNE NHW 3.9604
98 1GEG GLC 3.9604
99 4KFU ACP 3.9604
100 2WW4 ADP 3.9604
101 3KC1 2T6 3.9604
102 5XK9 GST 3.9604
103 5GK9 ACO 4
104 4B5P ACO 4
105 5KUT GDP 4.2328
106 5K21 6QF 4.25532
107 6ASZ GLN THR ALA ARG M3L SER 4.34783
108 5LS7 ACO 4.37956
109 4CRZ ACO 4.37956
110 5CHR 4NC 4.37956
111 6DIO CIT 4.45545
112 2XT3 ADP 4.45545
113 3COB ADP 4.45545
114 1P0H COA 4.45545
115 1P0H ACO 4.45545
116 4F9C 0SX 4.45545
117 5IDM ANP 4.46927
118 3CBC DBS 4.54545
119 2CJW GDP 4.6875
120 1NWW HPN 4.69799
121 6A0S NDP 4.9505
122 3TE4 ACO 4.9505
123 1KUV CA5 4.9505
124 4NTO 1PW 4.9505
125 1TV5 N8E 4.9505
126 4RW3 PLM 4.9505
127 2IOR ADP 4.9505
128 3B5J 12D 4.9505
129 6A20 ADP 4.9505
130 4IA6 EIC 4.9505
131 4WOE ADP 4.9505
132 1T5C ADP 4.9505
133 3H0L ADP 4.9505
134 3TK1 GDP 4.9505
135 2WHX ADP 4.9505
136 1UZ4 IFL 4.9505
137 5F1V 3VN 4.9505
138 1Z42 FMN 4.9505
139 1Z44 FMN 4.9505
140 5YGE ACO 5.17241
141 5YGE GLU 5.17241
142 2HT6 GDP 5.17241
143 5TZO 7V7 5.31915
144 2AWN ADP 5.44554
145 3TO7 COA 5.44554
146 5A04 BGC 5.44554
147 1V8K ANP 5.44554
148 1GQY ACP 5.44554
149 2IYL GDP 5.44554
150 2OFW ADX 5.44554
151 4EIL FOL 5.44554
152 2QV7 ADP 5.44554
153 1MID LAP 5.49451
154 5X4Q 7Z6 5.67376
155 5UGW GSH 5.71429
156 2BES RES 5.81395
157 1U3G ADP 5.82011
158 2ZPA ACO 5.94059
159 2HHP FLC 5.94059
160 2D2F ADP 5.94059
161 4RF7 ARG 5.94059
162 4YMU ATP 5.94059
163 1CJW COT 6.0241
164 1G6H ADP 6.43564
165 3D2M COA 6.43564
166 5YV5 ADP 6.43564
167 1YQT ADP 6.43564
168 5OSW DIU 6.43564
169 5OSW AE4 6.43564
170 4QM7 GTP 6.43564
171 2X7I CIT 6.43564
172 5F5R ANP 6.43564
173 4E03 ADP 6.43564
174 5MU6 KFK 6.43564
175 5MU6 MYA 6.43564
176 3ITJ CIT 6.43564
177 2ZFN ACO 6.43564
178 3EYK EYK 6.43564
179 5VKM GAL SIA 6.43564
180 2XAU ADP 6.43564
181 1LVG ADP 6.56566
182 5YRV 5AD 6.56934
183 3IX9 MTX 6.84211
184 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.93069
185 1ZED PNP 6.93069
186 4PPF FLC 6.93069
187 4V3I ASP LEU THR ARG PRO 6.93069
188 5HGZ ACO 6.93069
189 2X1L MET 6.93069
190 1R0X ATP 6.93069
191 4QYS PLR 6.93069
192 3W54 RNB 6.93069
193 3MD0 GDP 6.93069
194 5XDR ADP 6.93069
195 4XCL AGS 6.93069
196 5HH0 COA 7
197 1Y8O ADP 7.03125
198 6BJO DUY 7.2
199 4NSQ COA 7.36842
200 4LFL TG6 7.40741
201 5M36 9SZ 7.42574
202 3B6C SDN 7.42574
203 3MN5 LAB 7.42574
204 1GOJ ADP 7.42574
205 6D28 NEC 7.42574
206 5M37 9SZ 7.42574
207 4B1W LAB 7.42574
208 5YEE LAB 7.42574
209 2PRG BRL 7.42574
210 4B1V LAB 7.42574
211 5ZZA LAB 7.42574
212 5ZZB LAB 7.42574
213 2VOT NHV 7.42574
214 2D7I UDP 7.42574
215 3N7S 3N7 7.82609
216 1QSM ACO 7.89474
217 2Z3U CRR 7.92079
218 1YFS ALA 7.92079
219 3NB0 G6P 7.92079
220 2NCD ADP 7.92079
221 4YJ1 ADP 7.92079
222 2YIV YIV 7.92079
223 1ZHS NAG NAG BMA MAN MAN 7.9646
224 6GNO XDI 8.14815
225 5K04 COA 8.23529
226 1CM0 COA 8.33333
227 6GD6 EVB 8.33333
228 4KOT CE3 8.64198
229 5OCQ CIT 8.77193
230 6FS0 E4W 8.83721
231 4PSW COA 8.91089
232 2CBZ ATP 8.91089
233 4WZ6 ATP 8.91089
234 5NM7 GLY 8.91089
235 1BOB ACO 8.91089
236 1Y7P RIP 8.91089
237 1YBH P22 8.91089
238 5ZXD ATP 8.91089
239 3O5N BR0 8.92857
240 5KTC FUH 9.04255
241 5KTC COA 9.04255
242 1Q3P GLU ALA GLN THR ARG LEU 9.17431
243 4I67 G G G RPC 9.1954
244 4ONT SIA GAL BGC 9.30233
245 5XQL C2E 9.40594
246 5FJJ MAN 9.40594
247 3GD8 GOL 9.40594
248 2BJ4 OHT 9.40594
249 5FVJ ACO 9.63855
250 4OGQ 7PH 9.67742
251 2IL4 COA 9.70874
252 2VZZ SCA 9.90099
253 6BA2 7KM 9.90099
254 5U32 GDP 9.90099
255 1LSH PLD 9.90099
256 2Q8M AMP 9.90099
257 2CDN ADP 9.95025
258 2JDC CAO 10.274
259 6EDV COA 10.3093
260 2ZW5 COA 10.396
261 3ZJ0 ACO 10.396
262 3SXN COA 10.396
263 2VVG ADP 10.396
264 3DC4 ADP 10.396
265 5F05 GSH 10.396
266 3BIY 01K 10.396
267 3WUR O4B 10.5263
268 5H86 BCO 11.3095
269 4AVB ACO 11.3861
270 1PFK ADP 11.3861
271 1QR0 COA 11.3861
272 6B5K TYD 11.3861
273 4AVB CMP 11.3861
274 2WPW ACO 11.8812
275 2WPX ACO 11.8812
276 5KF9 ACO 11.8812
277 5KF9 COA 11.8812
278 5KF9 NAG 11.8812
279 2V7Q ADP 12.1212
280 2W58 ADP 12.3762
281 2O1V ADP 12.3762
282 5N53 8NB 12.8205
283 1JJ7 ADP 12.8713
284 5TSH ADP 12.8713
285 3R96 AMP 13.2979
286 3R96 ACO 13.2979
287 2PZE ATP 13.3663
288 3K7S R52 13.4078
289 2Q4V ACO 13.5294
290 3LN9 FLC 13.6691
291 1XVB BHL BHL 13.8614
292 2CNT COA 14.375
293 5N1X 8HH 14.4068
294 1IYK MYA 14.8515
295 1YRE COA 15.736
296 3EC1 GDP 15.8416
297 4UA3 COA 15.9794
298 4WQ2 3SU 16.185
299 4V1F BQ1 16.2791
300 6CS8 F9Y 16.3366
301 5XXS COA 16.6667
302 3ZIA ADP 16.8317
303 2KIN ADP 16.8317
304 2WSA MYA 16.8317
305 2WSA 646 16.8317
306 1PUA COA 17.1779
307 3PMA SCR 17.2414
308 1Q2D COA 17.284
309 1QSN COA 17.284
310 1QSR ACO 17.284
311 1Q2C COA 17.284
312 4R3L COA 17.9191
313 1I1D COA 18.0124
314 1I1D 16G 18.0124
315 5OLK DTP 18.3168
316 3H4S ADP 18.8119
317 4FRZ ADP 18.8119
318 4U9W COA 19.3069
319 4JZ8 CIT 19.802
320 2D5X L35 20.5674
321 1TIQ COA 22.7778
322 2BCG GER 23.2673
323 5JPH COA 23.6111
324 4R2I ANP 25.2475
325 5Z84 CHD 27.551
326 5ZCO CHD 27.551
327 1WWZ ACO 32.7044
328 4RI1 ACO 32.7957
329 3F8K COA 38.125
330 3WR7 COA 38.8235
331 4R57 ACO 39.2045
332 4XPL ACO 39.8773
333 6BFH KAN 41.573
334 4QC6 30N 44.1341
335 4QC6 KAN 44.1341
Pocket No.: 2; Query (leader) PDB : 1V0C; Ligand: KNC; Similar sites found with APoc: 329
This union binding pocket(no: 2) in the query (biounit: 1v0c.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 4KVX ACO None
3 1GXU 2HP None
4 1JI0 ATP None
5 3KPE TM3 None
6 1LNX URI None
7 5N26 CPT None
8 1RZX ACE VAL LYS GLU SER LEU VAL None
9 3A76 SPD None
10 6BR8 6OU None
11 4V2O CLQ None
12 4IBF 1D5 None
13 3TA2 AKG None
14 1I06 TZL 1.11111
15 2JEV NHQ 1.14943
16 2B4D COA 1.16959
17 2B4B COA 1.16959
18 1RRC ADP 1.48515
19 3B9Q MLI 1.48515
20 3LRE ADP 1.48515
21 1OXV ANP 1.48515
22 4M1U A2G MBG 1.48515
23 6D5X ATP 1.53061
24 1GHE ACO 1.69492
25 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 1.9802
26 2GWH PCI 1.9802
27 2GN2 C5P 1.9802
28 5U83 ZN8 1.9802
29 5W6Y TRP 1.9802
30 2EFX NFA 1.9802
31 4I90 CHT 1.9802
32 2WOR 2AN 2
33 5URY PAM 2.05479
34 1M4I COA 2.20994
35 1M4I KAN 2.20994
36 1M4I PAP 2.20994
37 2DTJ THR 2.24719
38 5AIG VPR 2.4
39 4AG9 COA 2.42424
40 3IA4 MTX 2.46914
41 2BHW NEX 2.47525
42 2OG2 MLI 2.47525
43 3NHB ADP 2.47525
44 5FPE 3TR 2.47525
45 4AG5 ADP 2.47525
46 5CQG 55C 2.47525
47 3R6K FUC GAL GLA 2.47525
48 3SHR CMP 2.47525
49 4C2X NHW 2.47525
50 3UIE ANP 2.5
51 6G96 ACO 2.84091
52 2FT0 ACO 2.9703
53 5LX9 OLB 2.9703
54 1B0U ATP 2.9703
55 1JJV ATP 2.9703
56 1NF8 BOG 2.9703
57 1F9V ADP 2.9703
58 3A4M ADP 2.9703
59 5DGR GCS 2.9703
60 3P4X ADP 2.9703
61 5JZJ AN2 2.9703
62 5UC4 83S 2.9703
63 1JIL 485 2.9703
64 1IID NHM 2.9703
65 1VG1 GDP 3.24324
66 3TDC 0EU 3.46535
67 1YC4 43P 3.46535
68 5GVR LMR 3.46535
69 2DPY ADP 3.46535
70 6BMS POV 3.46535
71 2YFB SIN 3.46535
72 5TVJ COA 3.46535
73 5NC1 NAG 3.46535
74 5TVJ 7LF 3.46535
75 2IXE ATP 3.46535
76 4H6U ACO 3.5
77 1BO4 COA 3.57143
78 5DCH 1YO 3.64583
79 1DTL BEP 3.72671
80 3K9U ACO 3.77358
81 4EJ1 FOL 3.77358
82 1S7N COA 3.84615
83 5ZI9 FLC 3.84615
84 1M2Z BOG 3.9604
85 4G86 BNT 3.9604
86 4U00 ADP 3.9604
87 1Q19 SSC 3.9604
88 4DE3 DN8 3.9604
89 2VWA PTY 3.9604
90 1OH2 SUC 3.9604
91 6C0B PAM 3.9604
92 2YNC YNC 3.9604
93 1GEG GLC 3.9604
94 1A0T SUC 3.9604
95 3RC3 ANP 3.9604
96 2YNE YNE 3.9604
97 2YNE NHW 3.9604
98 4KFU ACP 3.9604
99 2WW4 ADP 3.9604
100 5OF1 SAL 3.9604
101 3KC1 2T6 3.9604
102 5XK9 GST 3.9604
103 5GK9 ACO 4
104 4B5P ACO 4
105 5KUT GDP 4.2328
106 5K21 6QF 4.25532
107 6ASZ GLN THR ALA ARG M3L SER 4.34783
108 5LS7 ACO 4.37956
109 4CRZ ACO 4.37956
110 5CHR 4NC 4.37956
111 6DIO CIT 4.45545
112 2XT3 ADP 4.45545
113 3COB ADP 4.45545
114 1P0H COA 4.45545
115 1P0H ACO 4.45545
116 1V7Z CRN 4.45545
117 4F9C 0SX 4.45545
118 5IDM ANP 4.46927
119 3CBC DBS 4.54545
120 2CJW GDP 4.6875
121 1NWW HPN 4.69799
122 3TE4 ACO 4.9505
123 1KUV CA5 4.9505
124 4NTO 1PW 4.9505
125 1TV5 N8E 4.9505
126 4RW3 PLM 4.9505
127 2IOR ADP 4.9505
128 3B5J 12D 4.9505
129 6A20 ADP 4.9505
130 4IA6 EIC 4.9505
131 4WOE ADP 4.9505
132 1T5C ADP 4.9505
133 3H0L ADP 4.9505
134 3TK1 GDP 4.9505
135 2WHX ADP 4.9505
136 5F1V 3VN 4.9505
137 1Z42 FMN 4.9505
138 2V77 PAY 4.9505
139 1Z44 FMN 4.9505
140 5YGE ACO 5.17241
141 5YGE GLU 5.17241
142 2HT6 GDP 5.17241
143 2AWN ADP 5.44554
144 3TO7 COA 5.44554
145 5A04 BGC 5.44554
146 1V8K ANP 5.44554
147 1GQY ACP 5.44554
148 2OFW ADX 5.44554
149 2IYL GDP 5.44554
150 4EIL FOL 5.44554
151 2QV7 ADP 5.44554
152 1MID LAP 5.49451
153 5X4Q 7Z6 5.67376
154 5UGW GSH 5.71429
155 2BES RES 5.81395
156 1U3G ADP 5.82011
157 2ZPA ACO 5.94059
158 2HHP FLC 5.94059
159 2D2F ADP 5.94059
160 4RF7 ARG 5.94059
161 4YMU ATP 5.94059
162 1I7M PUT 5.94059
163 1CJW COT 6.0241
164 1G6H ADP 6.43564
165 3D2M COA 6.43564
166 5YV5 ADP 6.43564
167 1YQT ADP 6.43564
168 5OSW DIU 6.43564
169 5OSW AE4 6.43564
170 4QM7 GTP 6.43564
171 2X7I CIT 6.43564
172 5F5R ANP 6.43564
173 4E03 ADP 6.43564
174 3ITJ CIT 6.43564
175 2ZFN ACO 6.43564
176 5MU6 MYA 6.43564
177 5MU6 KFK 6.43564
178 3EYK EYK 6.43564
179 5VKM GAL SIA 6.43564
180 2XAU ADP 6.43564
181 1LVG ADP 6.56566
182 5YRV 5AD 6.56934
183 1HBK COA 6.74157
184 3IX9 MTX 6.84211
185 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.93069
186 1ZED PNP 6.93069
187 4PPF FLC 6.93069
188 4V3I ASP LEU THR ARG PRO 6.93069
189 2X1L MET 6.93069
190 1R0X ATP 6.93069
191 5HGZ ACO 6.93069
192 4QYS PLR 6.93069
193 3W54 RNB 6.93069
194 3MD0 GDP 6.93069
195 5XDR ADP 6.93069
196 4XCL AGS 6.93069
197 5HH0 COA 7
198 1Y8O ADP 7.03125
199 6BJO DUY 7.2
200 4NSQ COA 7.36842
201 4LFL TG6 7.40741
202 5M36 9SZ 7.42574
203 3B6C SDN 7.42574
204 3MN5 LAB 7.42574
205 1GOJ ADP 7.42574
206 6D28 NEC 7.42574
207 5M37 9SZ 7.42574
208 5YEE LAB 7.42574
209 2PRG BRL 7.42574
210 5ZZB LAB 7.42574
211 5ZZA LAB 7.42574
212 3N7S 3N7 7.82609
213 1QSM ACO 7.89474
214 2Z3U CRR 7.92079
215 3NB0 G6P 7.92079
216 1YFS ALA 7.92079
217 2NCD ADP 7.92079
218 4YJ1 ADP 7.92079
219 2YIV YIV 7.92079
220 1ZHS NAG NAG BMA MAN MAN 7.9646
221 6GNO XDI 8.14815
222 5K04 COA 8.23529
223 1CM0 COA 8.33333
224 6GD6 EVB 8.33333
225 4KOT CE3 8.64198
226 5OCQ CIT 8.77193
227 6FS0 E4W 8.83721
228 4PSW COA 8.91089
229 2CBZ ATP 8.91089
230 4WZ6 ATP 8.91089
231 5NM7 GLY 8.91089
232 1Y7P RIP 8.91089
233 1BOB ACO 8.91089
234 1YBH P22 8.91089
235 5ZXD ATP 8.91089
236 3O5N BR0 8.92857
237 5KTC FUH 9.04255
238 5KTC COA 9.04255
239 1Q3P GLU ALA GLN THR ARG LEU 9.17431
240 4I67 G G G RPC 9.1954
241 5XQL C2E 9.40594
242 5FJJ MAN 9.40594
243 3GD8 GOL 9.40594
244 2BJ4 OHT 9.40594
245 5FVJ ACO 9.63855
246 4OGQ 7PH 9.67742
247 2IL4 COA 9.70874
248 2VZZ SCA 9.90099
249 6BA2 7KM 9.90099
250 5U32 GDP 9.90099
251 1LSH PLD 9.90099
252 2Q8M AMP 9.90099
253 2CDN ADP 9.95025
254 2JDC CAO 10.274
255 6EDV COA 10.3093
256 2ZW5 COA 10.396
257 3ZJ0 ACO 10.396
258 3SXN COA 10.396
259 2VVG ADP 10.396
260 3DC4 ADP 10.396
261 5F05 GSH 10.396
262 3BIY 01K 10.396
263 3WUR O4B 10.5263
264 5H86 BCO 11.3095
265 4AVB ACO 11.3861
266 1PFK ADP 11.3861
267 1QR0 COA 11.3861
268 6B5K TYD 11.3861
269 4AVB CMP 11.3861
270 2WPW ACO 11.8812
271 2WPX ACO 11.8812
272 5KF9 ACO 11.8812
273 5KF9 NAG 11.8812
274 5KF9 COA 11.8812
275 2V7Q ADP 12.1212
276 2W58 ADP 12.3762
277 2O1V ADP 12.3762
278 1JJ7 ADP 12.8713
279 5TSH ADP 12.8713
280 3R96 AMP 13.2979
281 3R96 ACO 13.2979
282 2PZE ATP 13.3663
283 3K7S R52 13.4078
284 2Q4V ACO 13.5294
285 1XVB BHL BHL 13.8614
286 1XVB 3BR 13.8614
287 2CNT COA 14.375
288 1IYK MYA 14.8515
289 1YRE COA 15.736
290 3EC1 GDP 15.8416
291 4UA3 COA 15.9794
292 4WQ2 3SU 16.185
293 4V1F BQ1 16.2791
294 6CS8 F9Y 16.3366
295 5XXS COA 16.6667
296 3ZIA ADP 16.8317
297 2KIN ADP 16.8317
298 2WSA 646 16.8317
299 2WSA MYA 16.8317
300 1PUA COA 17.1779
301 3PMA SCR 17.2414
302 1Q2D COA 17.284
303 1QSN COA 17.284
304 1QSR ACO 17.284
305 1Q2C COA 17.284
306 4R3L COA 17.9191
307 1I1D COA 18.0124
308 1I1D 16G 18.0124
309 5OLK DTP 18.3168
310 3H4S ADP 18.8119
311 4FRZ ADP 18.8119
312 4U9W COA 19.3069
313 3FIU AMP 19.3069
314 4JZ8 CIT 19.802
315 2D5X L35 20.5674
316 1TIQ COA 22.7778
317 5JPH COA 23.6111
318 4R2I ANP 25.2475
319 5Z84 CHD 27.551
320 5ZCO CHD 27.551
321 1WWZ ACO 32.7044
322 4RI1 ACO 32.7957
323 3F8K COA 38.125
324 3WR7 COA 38.8235
325 4R57 ACO 39.2045
326 4XPL ACO 39.8773
327 6BFH KAN 41.573
328 4QC6 30N 44.1341
329 4QC6 KAN 44.1341
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