Receptor
PDB id Resolution Class Description Source Keywords
3R9G 1.35 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH COENZYME A AND PROCESSED MICROCIN C7 ANTIBI ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7MC A:500;
B:500;
Valid;
Valid;
none;
none;
submit data
560.455 C19 H29 N8 O10 P CC(=O...
COA A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R96 1.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF MICROCIN C7 SELF IMMUNITY ACETYLTRANSFE IN COMPLEX WITH ACETYL-COA AND AMP ESCHERICHIA COLI MICROCIN C7 ACETYLTRANSFERASE SELF IMMUNITY RESISTANCE ACOENZYME A TRANSFERASE
Ref.: STRUCTURAL BASIS FOR MICROCIN C7 INACTIVATION BY TH ACETYLTRANSFERASE. J.BIOL.CHEM. V. 286 21295 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3R95 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 3R9E - DSZ C14 H19 N7 O9 S c1nc(c2c(n....
3 3R9G - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3R9F - GSU C15 H21 N7 O9 S c1nc(c2c(n....
5 3R96 Kd = 1.03 mM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1S7N - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7MC; Similar ligands found: 215
No: Ligand ECFP6 Tc MDL keys Tc
1 7MC 1 1
2 7MD 0.771429 0.975309
3 XAH 0.537815 0.904762
4 AMO 0.535088 0.901235
5 A 0.534653 0.817073
6 AMP 0.534653 0.817073
7 ABM 0.533981 0.819277
8 TXA 0.529915 0.878049
9 AMP MG 0.524272 0.776471
10 CA0 0.523364 0.865854
11 5AL 0.522523 0.876543
12 LAD 0.521368 0.926829
13 WAQ 0.521368 0.902439
14 A2D 0.519231 0.841463
15 ADP 0.518868 0.841463
16 B4P 0.518868 0.841463
17 AP5 0.518868 0.841463
18 BEF ADP 0.518519 0.770115
19 ADP BEF 0.518519 0.770115
20 1ZZ 0.516949 0.882353
21 PRX 0.513761 0.843373
22 ANP 0.513514 0.843373
23 MYR AMP 0.512605 0.860465
24 A12 0.509434 0.833333
25 AP2 0.509434 0.833333
26 BA3 0.509434 0.841463
27 AU1 0.509259 0.843373
28 ADP MG 0.509259 0.788235
29 M33 0.509259 0.853659
30 DSZ 0.508621 0.802198
31 ATP 0.504587 0.841463
32 DAL AMP 0.504348 0.853659
33 AHX 0.504274 0.891566
34 NB8 0.504202 0.891566
35 AQP 0.5 0.841463
36 SRP 0.5 0.901235
37 5SV 0.5 0.847059
38 ACQ 0.5 0.843373
39 8QN 0.5 0.876543
40 SON 0.5 0.855422
41 GAP 0.5 0.865854
42 5FA 0.5 0.841463
43 AN2 0.5 0.853659
44 APC 0.5 0.833333
45 SRA 0.5 0.77907
46 4AD 0.495726 0.890244
47 PAJ 0.495726 0.858824
48 ADP PO3 0.495495 0.817073
49 ADX 0.495413 0.766667
50 YAP 0.491803 0.86747
51 3OD 0.491667 0.888889
52 MAP 0.491379 0.823529
53 2SA 0.491228 0.878049
54 ATP MG 0.491071 0.788235
55 ACP 0.490909 0.843373
56 50T 0.490909 0.809524
57 TYR AMP 0.487805 0.833333
58 OAD 0.487395 0.888889
59 TAT 0.486726 0.811765
60 AR6 0.486486 0.864198
61 APR 0.486486 0.864198
62 PR8 0.483333 0.939024
63 KAA 0.483333 0.815217
64 52H 0.482759 0.744681
65 54H 0.482759 0.752688
66 VMS 0.482759 0.752688
67 SAP 0.482143 0.802326
68 AGS 0.482143 0.802326
69 RBY 0.482143 0.855422
70 ADV 0.482143 0.855422
71 AD9 0.482143 0.821429
72 ME8 0.479339 0.860465
73 PTJ 0.479339 0.825581
74 FYA 0.479339 0.853659
75 DLL 0.478992 0.853659
76 TSB 0.478632 0.78022
77 A5A 0.478261 0.769231
78 OOB 0.474576 0.853659
79 ANP MG 0.474138 0.802326
80 AYB 0.473684 0.917647
81 S4M 0.472222 0.752809
82 GSU 0.471074 0.802198
83 OMR 0.469231 0.894118
84 FA5 0.467742 0.878049
85 COD 0.466667 0.896552
86 00A 0.466667 0.813953
87 53H 0.466102 0.744681
88 A22 0.466102 0.831325
89 YLB 0.465649 0.928571
90 ALF ADP 0.465517 0.761364
91 ATF 0.465517 0.811765
92 ADP ALF 0.465517 0.761364
93 YLP 0.465116 0.951807
94 48N 0.465116 0.891566
95 G5A 0.464912 0.802198
96 YSA 0.464 0.763441
97 5AS 0.463636 0.782609
98 3UK 0.46281 0.843373
99 LEU LMS 0.46281 0.747368
100 25A 0.462185 0.819277
101 SSA 0.461538 0.802198
102 ADP VO4 0.461538 0.809524
103 6V0 0.461538 0.825581
104 NAI 0.461538 0.813953
105 VO4 ADP 0.461538 0.809524
106 A A 0.459016 0.797619
107 IOT 0.458647 0.895349
108 LSS 0.458333 0.765957
109 A1R 0.458333 0.902439
110 NSS 0.458333 0.782609
111 ARG AMP 0.457364 0.872093
112 LAQ 0.457364 0.83908
113 M2T 0.456311 0.662921
114 ATP A A A 0.456 0.807229
115 JB6 0.455285 0.835294
116 BIS 0.455285 0.835294
117 NVA LMS 0.454545 0.765957
118 YLC 0.454545 0.927711
119 LPA AMP 0.453846 0.818182
120 5CA 0.453782 0.802198
121 AOC 0.453704 0.714286
122 25L 0.451613 0.831325
123 NAX 0.450382 0.848837
124 TAD 0.449612 0.816092
125 S7M 0.449153 0.738636
126 9SN 0.448 0.804598
127 TYM 0.44697 0.878049
128 TXE 0.44697 0.857143
129 ADQ 0.446281 0.865854
130 AHZ 0.446154 0.818182
131 AP0 0.443609 0.804598
132 BT5 0.442029 0.852273
133 4UU 0.44186 0.823529
134 AR6 AR6 0.44186 0.819277
135 CNA 0.441176 0.855422
136 YLY 0.439716 0.940476
137 DND 0.439394 0.855422
138 NXX 0.439394 0.855422
139 TXD 0.439394 0.857143
140 4UW 0.439394 0.837209
141 ADP BMA 0.439024 0.843373
142 5X8 0.438596 0.746988
143 4UV 0.4375 0.823529
144 AMP DBH 0.4375 0.8
145 WSA 0.43609 0.771739
146 5N5 0.435644 0.753086
147 P5A 0.435484 0.826087
148 BTX 0.434783 0.840909
149 YLA 0.433824 0.905882
150 SXZ 0.432 0.758621
151 5CD 0.431373 0.698795
152 AFH 0.430769 0.837209
153 RAB 0.43 0.753086
154 XYA 0.43 0.753086
155 ADN 0.43 0.753086
156 3DH 0.429907 0.694118
157 NAD IBO 0.427536 0.802326
158 GTA 0.427481 0.797753
159 DSH 0.427273 0.77381
160 FB0 0.426667 0.88764
161 SFG 0.426087 0.756098
162 AF3 ADP 3PG 0.425373 0.795455
163 ALF ADP 3PG 0.425373 0.795455
164 LA8 ALF 3PG 0.425373 0.795455
165 SMM 0.425 0.733333
166 MTA 0.424528 0.694118
167 SAM 0.423729 0.719101
168 NAQ 0.423611 0.804598
169 ADJ 0.423358 0.850575
170 T5A 0.423358 0.840909
171 N0B 0.42069 0.905882
172 7D5 0.420561 0.764706
173 G5P 0.419847 0.804598
174 EP4 0.419048 0.697674
175 SA8 0.418803 0.755814
176 A3D 0.41844 0.843373
177 6RE 0.418182 0.744186
178 UP5 0.41791 0.823529
179 A4D 0.417476 0.731707
180 A3P 0.415929 0.817073
181 DTA 0.415094 0.686047
182 EAD 0.414966 0.827586
183 649 0.414815 0.787234
184 G3A 0.412214 0.804598
185 4TC 0.411765 0.825581
186 6IA 0.411765 0.837209
187 DZD 0.411348 0.858824
188 AMP NAD 0.410959 0.833333
189 J7C 0.410714 0.752941
190 A4P 0.408759 0.802198
191 AAT 0.408333 0.755814
192 EEM 0.408333 0.719101
193 62X 0.408 0.772727
194 GJV 0.40708 0.755814
195 7D3 0.40708 0.788235
196 NAE 0.406897 0.823529
197 PAP 0.40678 0.829268
198 4YB 0.406015 0.784946
199 NAJ PZO 0.405594 0.784091
200 CMX 0.405405 0.908046
201 7D4 0.405172 0.788235
202 K15 0.404762 0.790698
203 4TA 0.404255 0.808989
204 NAD 0.404255 0.831325
205 MAO 0.403509 0.784091
206 A2P 0.403509 0.804878
207 SAH 0.403361 0.75
208 SAI 0.403361 0.741176
209 A3G 0.401786 0.802469
210 NEC 0.401786 0.731707
211 A3T 0.401709 0.777778
212 3AM 0.4 0.804878
213 0UM 0.4 0.809524
214 V3L 0.4 0.841463
215 HAX 0.4 0.88764
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found: 221
This union binding pocket(no: 1) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BO4 COA 0.00001078 0.5868 None
2 5GVR LMR 0.0001029 0.5769 None
3 4U9W COA 0.000002185 0.55523 None
4 2AWN ADP 0.0004271 0.52275 None
5 1QKQ MAN 0.0006408 0.48189 None
6 4AG9 COA 0.003031 0.46082 None
7 3W5J GDP 0.0103 0.4495 None
8 4K30 NLG 0.01135 0.43553 None
9 1GHE ACO 0.00001958 0.43211 None
10 4BQS ADP 0.01121 0.43151 None
11 2HT6 GDP 0.02574 0.41662 None
12 1M2Z BOG 0.02996 0.4142 None
13 3SAO DBH 0.03413 0.40988 None
14 4I67 G G G RPC 0.03392 0.40652 None
15 1X9Q FLU 0.04783 0.40219 None
16 1YZG GDP 0.03852 0.40022 None
17 3FIU POP 0.01028 0.44565 1.06383
18 1UYY BGC BGC 0.03226 0.41536 1.52672
19 2W58 ADP 0.005068 0.46428 1.59574
20 3KC1 2T6 0.005885 0.42635 1.59574
21 1U3G ADP 0.02409 0.42231 1.59574
22 1TKU 5RP 0.03309 0.41653 1.59574
23 2WIC GNP 0.02917 0.40639 1.59574
24 1UPT GTP 0.00799 0.41387 1.75439
25 4KVX ACO 0.0000002723 0.58737 1.92308
26 3TE4 ACO 0.000001641 0.57173 2.12766
27 3TO7 COA 0.00001266 0.52314 2.12766
28 3TK1 GDP 0.006379 0.4537 2.12766
29 3GD9 GLC BGC BGC BGC 0.007846 0.43529 2.12766
30 4TS1 TYR 0.03451 0.41376 2.12766
31 1T5C ADP 0.03784 0.41338 2.12766
32 5HCN GCP 0.02352 0.41115 2.12766
33 2B4B COA 0.000006996 0.55548 2.33918
34 2B4D COA 0.00000525 0.43525 2.33918
35 2ZPA ACO 0.000008593 0.54039 2.65957
36 4UA3 COA 0.00001878 0.53606 2.65957
37 2D2F ADP 0.0005058 0.52138 2.65957
38 2WPX ACO 0.0001415 0.50621 2.65957
39 2WPW ACO 0.0003154 0.49477 2.65957
40 2XT3 ADP 0.007727 0.45279 2.65957
41 2DPY ADP 0.01224 0.43833 2.65957
42 1LVW TYD 0.0194 0.41917 2.65957
43 1M7G AV2 0.03204 0.41154 2.65957
44 2AZ5 307 0.01564 0.40977 2.7027
45 3Q72 GNP 0.04315 0.4046 3.01205
46 2C3H GLC GLC 0.02263 0.40429 3.06122
47 1KUV CA5 0.0001298 0.45901 3.19149
48 2C04 GCP 0.002654 0.4462 3.19149
49 2X7I CIT 0.007204 0.44143 3.19149
50 1H3F TYE 0.01887 0.42247 3.19149
51 4P6C RES 0.01476 0.41774 3.19149
52 1U0J ADP 0.02745 0.41513 3.19149
53 5LY1 PPI 0.03426 0.41108 3.19149
54 1N71 COA 0.0004431 0.47391 3.33333
55 1YQT ADP 0.00322 0.47185 3.7234
56 1XKV ATP 0.006177 0.43643 3.7234
57 3E70 GDP 0.00808 0.43465 3.7234
58 2IYL GDP 0.01331 0.42765 3.7234
59 3DC4 ADP 0.02078 0.42582 3.7234
60 3KV4 OGA 0.02743 0.42156 3.7234
61 2CJW GDP 0.02465 0.41375 3.7234
62 5U83 ZN8 0.04751 0.40609 3.7234
63 4H6B 10X 0.03875 0.40009 3.7234
64 5JPH COA 0.000282 0.48279 4.16667
65 4WOH 4NP 0.04501 0.40918 4.21687
66 2ZW5 COA 0.0000000003431 0.73213 4.25532
67 5GK9 ACO 0.00001215 0.51471 4.25532
68 3NHB ADP 0.007598 0.4523 4.25532
69 3B5J 12D 0.01175 0.43931 4.25532
70 2V2G BEZ 0.01742 0.43299 4.25532
71 2WHX ADP 0.01776 0.43097 4.25532
72 2YKL NLD 0.011 0.42789 4.25532
73 2XAU ADP 0.01258 0.42118 4.25532
74 3QSB 743 0.01776 0.42116 4.25532
75 5M04 GDP 0.02899 0.41387 4.25532
76 1DNP MHF 0.04698 0.41372 4.25532
77 5KUT GDP 0.03955 0.40302 4.25532
78 2VF7 ADP 0.03428 0.40281 4.25532
79 1SVI GDP 0.04904 0.4016 4.25532
80 3LN9 FLC 0.01512 0.40303 4.31655
81 4P7U 1PS 0.01698 0.42182 4.46429
82 2OG2 MLI 0.000003529 0.65164 4.78723
83 3B9Q MLI 0.00002944 0.59635 4.78723
84 1P0H COA 0.0000243 0.49575 4.78723
85 1P0H ACO 0.00002565 0.49575 4.78723
86 4WZ6 ATP 0.009407 0.44692 4.78723
87 1OXV ANP 0.01292 0.43255 4.78723
88 3GJ0 GDP 0.02356 0.41478 4.78723
89 3TBK ANP 0.04801 0.40585 4.78723
90 3BFV ADP 0.03093 0.40509 4.78723
91 4KOT CE3 0.000007699 0.48211 4.93827
92 4KFU ACP 0.02075 0.42861 5.18868
93 2WZ5 MET 0.0009012 0.46282 5.22876
94 2FT0 ACO 0.0000519 0.53248 5.31915
95 4NSQ COA 0.00004536 0.5295 5.31915
96 4U00 ADP 0.0009612 0.50694 5.31915
97 1G6H ADP 0.001438 0.4947 5.31915
98 1JJ7 ADP 0.001469 0.49312 5.31915
99 1LVG ADP 0.009734 0.44374 5.31915
100 5CK5 GDP 0.02241 0.41984 5.31915
101 3PQC GDP 0.03293 0.41487 5.31915
102 2Y91 98J 0.04153 0.41318 5.31915
103 4C2Z MYA 0.001333 0.40095 5.31915
104 1Z0A GDP 0.04129 0.40204 5.74713
105 4H6U ACO 0.00007999 0.50276 5.85106
106 2VVG ADP 0.01455 0.43345 5.85106
107 1V8K ANP 0.01256 0.42896 5.85106
108 3N9Q OGA 0.02825 0.42057 5.85106
109 3BER AMP 0.02112 0.41724 5.85106
110 3N9O OGA 0.03197 0.41716 5.85106
111 4LC1 GDP 0.02175 0.41659 5.85106
112 1GXS BEZ 0.0319 0.41517 5.85106
113 5L3W GDP 0.0182 0.41323 5.85106
114 2RCA GLY 0.03125 0.41277 5.85106
115 3N9P OGA 0.04221 0.40959 5.85106
116 3Q85 GNP 0.02632 0.41227 5.91716
117 1CM0 COA 0.00007535 0.53057 5.95238
118 1GMN IDS SGN IDS SGN IDS 0.02077 0.42967 6.01093
119 5FVJ ACO 0.00003892 0.49417 6.0241
120 4B5P ACO 0.0001644 0.46876 6.38298
121 1JI0 ATP 0.004125 0.46395 6.38298
122 1GOJ ADP 0.008796 0.44684 6.38298
123 4YMU ATP 0.01275 0.43284 6.38298
124 4BLW AMP 0.02094 0.4271 6.38298
125 4MLM TLA 0.04172 0.40883 6.38298
126 3V78 ET 0.03357 0.40328 6.38298
127 1QSM ACO 0.0000007433 0.56935 6.57895
128 3H4S ADP 0.01575 0.43431 6.66667
129 4KZV TRE 0.03479 0.41637 6.71642
130 2JDC CAO 0.0003005 0.45471 6.84932
131 3CBC DBS 0.004336 0.46532 6.91489
132 1F9V ADP 0.0146 0.43652 6.91489
133 5L2R MLA 0.02749 0.42545 6.91489
134 5LXB 7A9 0.02667 0.42077 6.91489
135 1YRB GDP 0.01489 0.41407 6.91489
136 5HR5 ADP 0.01337 0.413 6.91489
137 2FSH ANP 0.04175 0.40537 6.91489
138 4TTQ ATP 0.04371 0.40074 6.91489
139 1VG9 GDP 0.02849 0.40691 7.02703
140 3GJ7 GDP 0.0216 0.41674 7.14286
141 4CVN ADP 0.0103 0.4424 7.29927
142 3NEM ATP 0.005727 0.44657 7.44681
143 3EC1 GDP 0.01461 0.42972 7.44681
144 3RC3 ANP 0.01636 0.42711 7.44681
145 2ZR9 DTP 0.01594 0.42359 7.44681
146 3N75 G4P 0.03955 0.41038 7.44681
147 2Q4V ACO 0.000001441 0.55746 7.64706
148 3A4M ADP 0.01027 0.44247 7.69231
149 5BXQ GDP 0.03067 0.40528 7.87402
150 1N07 ADP 0.009354 0.41385 7.97546
151 4B1W LAB 0.00367 0.45654 7.97872
152 3MN5 LAB 0.0114 0.44002 7.97872
153 4B1X LAB 0.01041 0.43752 7.97872
154 4B1Y LAB 0.01149 0.43525 7.97872
155 2CYB TYR 0.0208 0.42712 7.97872
156 4DSU BZI 0.03966 0.41021 7.97872
157 3UIE ANP 0.02481 0.40655 7.97872
158 2HK9 ATR 0.03456 0.40609 8.36364
159 3NZ1 3NY 0.007598 0.45136 8.51064
160 2J5V PCA 0.044 0.42237 8.51064
161 5L3V GDP 0.03116 0.40161 8.51064
162 3GJ8 GDP 0.03052 0.40539 8.69565
163 3F8K COA 0.000004814 0.54597 8.75
164 3ZJ0 ACO 0.000001717 0.55963 9.04255
165 4FE2 AIR 0.02857 0.41041 9.04255
166 5FPE 3TR 0.007357 0.44588 9.57447
167 3CV2 COA 0.04919 0.40805 9.57447
168 2KIN ADP 0.03094 0.41798 10
169 4L77 CNL 0.02445 0.42196 10.1064
170 4IEE AGS 0.0273 0.41526 10.1064
171 4NON GDP 0.03314 0.40704 10.1064
172 2IXE ATP 0.01257 0.40509 10.1064
173 3A16 PXO 0.007433 0.43991 10.6383
174 5KJW 53C 0.02995 0.41746 10.6383
175 3IIJ ADP 0.02558 0.41292 11.1111
176 1JJV ATP 0.008222 0.45152 11.1702
177 4AG5 ADP 0.01013 0.44528 11.1702
178 1CJW COT 0.00007279 0.42648 11.4458
179 1Y2F WAI 0.04999 0.40252 11.5108
180 4RI1 ACO 0.00002785 0.52832 11.828
181 1FZQ GDP 0.02925 0.40988 12.7072
182 5TSH ADP 0.008542 0.44967 12.766
183 4R2I ANP 0.02144 0.42507 12.766
184 5TSH ANP 0.02942 0.40975 12.766
185 4AVB ACO 0.000004422 0.54235 13.2979
186 1V0C KNC 0.000003793 0.42288 13.2979
187 1V0C ACO 0.000003958 0.40393 13.2979
188 2ZBA COA 0.02444 0.40054 13.2979
189 5HGZ ACO 0.00002415 0.51136 13.8298
190 1G7C 5GP 0.01219 0.42962 13.8298
191 3H0L ADP 0.01523 0.42876 13.8298
192 5OCA 9QZ 0.04815 0.41917 13.8298
193 1M4I PAP 0.001076 0.41153 14.3646
194 1M4I COA 0.001076 0.41153 14.3646
195 1M4I KAN 0.001076 0.41153 14.3646
196 2QN6 GDP 0.0475 0.40235 15.0538
197 4QM7 GTP 0.008788 0.43697 15.2047
198 1IYK MYA 0.0009642 0.42589 15.9574
199 1BOB ACO 0.00001159 0.52964 16.4894
200 4PSW COA 0.00008294 0.52268 16.4894
201 1I1D COA 0.000003129 0.55399 16.7702
202 1I1D 16G 0.00003567 0.48035 16.7702
203 3UUA 0CZ 0.02923 0.4099 18.617
204 1TIQ COA 0.00002206 0.55679 20.5556
205 5H86 BCO 0.0001837 0.46325 20.8333
206 3GJ3 GDP 0.02123 0.41713 21.2121
207 4QC6 30N 0.000003366 0.55813 21.229
208 4MG9 27K 0.01982 0.42694 21.8085
209 4MGA 27L 0.0231 0.416 21.8085
210 4MGD 27N 0.03245 0.40074 21.8085
211 1PUA COA 0.0001683 0.49769 22.6994
212 1Q2D COA 0.0001487 0.5052 22.8395
213 1QSN COA 0.0002049 0.49375 22.8395
214 1QSR ACO 0.0001335 0.48013 22.8395
215 1Q2C COA 0.00594 0.41655 22.8395
216 3GJ5 GDP 0.02118 0.41719 23.5294
217 4XPL ACO 0.0002026 0.49887 23.9264
218 3GJ4 GDP 0.02269 0.41562 24.2424
219 2CUN 3PG 0.02342 0.41151 28.7234
220 2CNT COA 0.000001233 0.5713 31.875
221 1XX6 ADP 0.04474 0.41019 34.5745
Pocket No.: 2; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found: 225
This union binding pocket(no: 2) in the query (biounit: 3r96.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1BO4 COA 0.00001078 0.5868 None
2 1GXU 2HP 0.0000245 0.58117 None
3 5GVR LMR 0.0001029 0.5769 None
4 4U9W COA 0.000002185 0.55523 None
5 2AWN ADP 0.0004271 0.52275 None
6 1QKQ MAN 0.0006408 0.48189 None
7 4AG9 COA 0.003031 0.46082 None
8 3W5J GDP 0.0103 0.4495 None
9 4K30 NLG 0.01135 0.43553 None
10 1GHE ACO 0.00001958 0.43211 None
11 4BQS ADP 0.01121 0.43151 None
12 2HT6 GDP 0.02574 0.41662 None
13 1M2Z BOG 0.02996 0.4142 None
14 3SAO DBH 0.03413 0.40988 None
15 4I67 G G G RPC 0.03392 0.40652 None
16 1X9Q FLU 0.04783 0.40219 None
17 1YZG GDP 0.03852 0.40022 None
18 3FIU POP 0.01028 0.44565 1.06383
19 1UYY BGC BGC 0.03226 0.41536 1.52672
20 2W58 ADP 0.005068 0.46428 1.59574
21 3KC1 2T6 0.005885 0.42635 1.59574
22 1TKU 5RP 0.03309 0.41653 1.59574
23 2WIC GNP 0.02917 0.40639 1.59574
24 1UPT GTP 0.00799 0.41387 1.75439
25 4KVX ACO 0.0000002723 0.58737 1.92308
26 3TE4 ACO 0.000001641 0.57173 2.12766
27 3TO7 COA 0.00001266 0.52314 2.12766
28 3TK1 GDP 0.006379 0.4537 2.12766
29 3GD9 GLC BGC BGC BGC 0.007846 0.43529 2.12766
30 4TS1 TYR 0.03451 0.41376 2.12766
31 1T5C ADP 0.03784 0.41338 2.12766
32 5HCN GCP 0.02352 0.41115 2.12766
33 2B4B COA 0.000006996 0.55548 2.33918
34 2B4D COA 0.00000525 0.43525 2.33918
35 4UA3 COA 0.00001878 0.53606 2.65957
36 2D2F ADP 0.0005058 0.52138 2.65957
37 2WPX ACO 0.0001415 0.50621 2.65957
38 2WPW ACO 0.0003154 0.49477 2.65957
39 2XT3 ADP 0.007727 0.45279 2.65957
40 2DPY ADP 0.01224 0.43833 2.65957
41 2ZPA ACO 0.000008593 0.43531 2.65957
42 1LVW TYD 0.0194 0.41917 2.65957
43 1M7G AV2 0.03204 0.41154 2.65957
44 2AZ5 307 0.01564 0.40977 2.7027
45 3Q72 GNP 0.04315 0.4046 3.01205
46 2C3H GLC GLC 0.02263 0.40429 3.06122
47 1KUV CA5 0.0001298 0.45901 3.19149
48 2C04 GCP 0.002654 0.4462 3.19149
49 2X7I CIT 0.007204 0.44143 3.19149
50 1H3F TYE 0.01887 0.42247 3.19149
51 4P6C RES 0.01476 0.41774 3.19149
52 1U0J ADP 0.02745 0.41513 3.19149
53 5LY1 PPI 0.03426 0.41108 3.19149
54 1N71 COA 0.0004431 0.47391 3.33333
55 2VBQ BSJ 0.000001134 0.52441 3.63636
56 1YQT ADP 0.00322 0.47185 3.7234
57 1XKV ATP 0.006177 0.43643 3.7234
58 3E70 GDP 0.00808 0.43465 3.7234
59 4MOB ADP 0.01906 0.42997 3.7234
60 2IYL GDP 0.01331 0.42765 3.7234
61 3DC4 ADP 0.02078 0.42582 3.7234
62 3KV4 OGA 0.02743 0.42156 3.7234
63 2CJW GDP 0.02465 0.41375 3.7234
64 5U83 ZN8 0.04751 0.40609 3.7234
65 4H6B 10X 0.03875 0.40009 3.7234
66 5JPH COA 0.000282 0.48279 4.16667
67 4WOH 4NP 0.04501 0.40918 4.21687
68 2ZW5 COA 0.0000000003431 0.73213 4.25532
69 5GK9 ACO 0.00001215 0.51471 4.25532
70 3NHB ADP 0.007598 0.4523 4.25532
71 3B5J 12D 0.01175 0.43931 4.25532
72 2V2G BEZ 0.01742 0.43299 4.25532
73 2WHX ADP 0.01776 0.43097 4.25532
74 2YKL NLD 0.011 0.42789 4.25532
75 2XAU ADP 0.01258 0.42118 4.25532
76 3QSB 743 0.01776 0.42116 4.25532
77 5M04 GDP 0.02899 0.41387 4.25532
78 1DNP MHF 0.04698 0.41372 4.25532
79 5KUT GDP 0.03955 0.40302 4.25532
80 2VF7 ADP 0.03428 0.40281 4.25532
81 1SVI GDP 0.04904 0.4016 4.25532
82 3LN9 FLC 0.01512 0.40303 4.31655
83 3F81 STT 0.01938 0.41781 4.37158
84 4P7U 1PS 0.01698 0.42182 4.46429
85 2OG2 MLI 0.000003529 0.65164 4.78723
86 3B9Q MLI 0.00002944 0.59635 4.78723
87 1P0H COA 0.0000243 0.49575 4.78723
88 1P0H ACO 0.00002565 0.49575 4.78723
89 4WZ6 ATP 0.009407 0.44692 4.78723
90 1OXV ANP 0.01292 0.43255 4.78723
91 3MD0 GDP 0.0176 0.42542 4.78723
92 3GJ0 GDP 0.02356 0.41478 4.78723
93 3TBK ANP 0.04801 0.40585 4.78723
94 3BFV ADP 0.03093 0.40509 4.78723
95 4KOT CE3 0.000007699 0.48211 4.93827
96 4KFU ACP 0.02075 0.42861 5.18868
97 2WZ5 MET 0.0009012 0.46282 5.22876
98 2FT0 ACO 0.0000519 0.53248 5.31915
99 4NSQ COA 0.00004536 0.5295 5.31915
100 4U00 ADP 0.0009612 0.50694 5.31915
101 1G6H ADP 0.001438 0.4947 5.31915
102 1JJ7 ADP 0.001469 0.49312 5.31915
103 5CK5 GDP 0.02241 0.41984 5.31915
104 3PQC GDP 0.03293 0.41487 5.31915
105 2Y91 98J 0.04153 0.41318 5.31915
106 4C2X NHW 0.001621 0.40868 5.31915
107 1K6M AGS 0.01155 0.40391 5.31915
108 4C2Z MYA 0.001333 0.40095 5.31915
109 1Z0A GDP 0.04129 0.40204 5.74713
110 4H6U ACO 0.00007999 0.50276 5.85106
111 3D2M COA 0.00007513 0.47507 5.85106
112 1V8K ANP 0.01256 0.42896 5.85106
113 4IHQ ADP 0.02 0.42246 5.85106
114 3N9Q OGA 0.02825 0.42057 5.85106
115 3BER AMP 0.02112 0.41724 5.85106
116 3N9O OGA 0.03197 0.41716 5.85106
117 4LC1 GDP 0.02175 0.41659 5.85106
118 1GXS BEZ 0.0319 0.41517 5.85106
119 5L3W GDP 0.0182 0.41323 5.85106
120 2RCA GLY 0.03125 0.41277 5.85106
121 3N9P OGA 0.04221 0.40959 5.85106
122 3Q85 GNP 0.02632 0.41227 5.91716
123 1CM0 COA 0.00007535 0.53057 5.95238
124 1GMN IDS SGN IDS SGN IDS 0.02077 0.42967 6.01093
125 5FVJ ACO 0.00003892 0.49417 6.0241
126 1JI0 ATP 0.004125 0.46395 6.38298
127 1GOJ ADP 0.008796 0.44684 6.38298
128 4YMU ATP 0.01275 0.43284 6.38298
129 4B5P ACO 0.0001644 0.41245 6.38298
130 4MLM TLA 0.04172 0.40883 6.38298
131 3V78 ET 0.03357 0.40328 6.38298
132 1QSM ACO 0.0000007433 0.56935 6.57895
133 2JDC CAO 0.0003005 0.45471 6.84932
134 3CBC DBS 0.004336 0.46532 6.91489
135 5L2R MLA 0.02749 0.42545 6.91489
136 5LXB 7A9 0.02667 0.42077 6.91489
137 1YRB GDP 0.01489 0.41407 6.91489
138 5HR5 ADP 0.01337 0.413 6.91489
139 4TTQ ATP 0.04371 0.40074 6.91489
140 3GJ7 GDP 0.0216 0.41674 7.14286
141 4CVN ADP 0.0103 0.4424 7.29927
142 2VEZ G6P 0.00004076 0.48176 7.44681
143 2VEZ ACO 0.00007969 0.47406 7.44681
144 3NEM ATP 0.005727 0.44657 7.44681
145 3RC3 ANP 0.01636 0.42711 7.44681
146 2ZR9 DTP 0.01594 0.42359 7.44681
147 3N75 G4P 0.03955 0.41038 7.44681
148 2Q4V ACO 0.000001441 0.55746 7.64706
149 3A4M ADP 0.01027 0.44247 7.69231
150 5BXQ GDP 0.03067 0.40528 7.87402
151 1N07 ADP 0.009354 0.41385 7.97546
152 4B1W LAB 0.00367 0.45654 7.97872
153 3MN5 LAB 0.0114 0.44002 7.97872
154 4B1X LAB 0.01041 0.43752 7.97872
155 4B1Y LAB 0.01149 0.43525 7.97872
156 2CYB TYR 0.0208 0.42712 7.97872
157 4DSU BZI 0.03966 0.41021 7.97872
158 3UIE ANP 0.02481 0.40655 7.97872
159 2HK9 ATR 0.03456 0.40609 8.36364
160 3NZ1 3NY 0.007598 0.45136 8.51064
161 2J5V PCA 0.044 0.42237 8.51064
162 1B0U ATP 0.02538 0.40282 8.51064
163 5L3V GDP 0.03116 0.40161 8.51064
164 3GJ8 GDP 0.03052 0.40539 8.69565
165 3F8K COA 0.000004814 0.54597 8.75
166 3ZJ0 ACO 0.000001717 0.46626 9.04255
167 4FE2 AIR 0.02857 0.41041 9.04255
168 5FPE 3TR 0.007357 0.44588 9.57447
169 1G6O ADP 0.009307 0.42765 9.57447
170 1XP8 AGS 0.0238 0.41844 9.57447
171 3CV2 COA 0.04919 0.40805 9.57447
172 2KIN ADP 0.03094 0.41798 10
173 4L77 CNL 0.02445 0.42196 10.1064
174 4IEE AGS 0.0273 0.41526 10.1064
175 4NON GDP 0.03314 0.40704 10.1064
176 2IXE ATP 0.01257 0.40509 10.1064
177 1A5Z FBP 0.04483 0.40335 10.1064
178 3A16 PXO 0.007433 0.43991 10.6383
179 5KJW 53C 0.02995 0.41746 10.6383
180 3IIJ ADP 0.02558 0.41292 11.1111
181 1JJV ATP 0.008222 0.45152 11.1702
182 4AG5 ADP 0.01013 0.44528 11.1702
183 1CJW COT 0.00007279 0.42648 11.4458
184 4RI1 ACO 0.00002785 0.52832 11.828
185 1FZQ GDP 0.02925 0.40988 12.7072
186 5TSH ADP 0.008542 0.44967 12.766
187 4R2I ANP 0.02144 0.42507 12.766
188 5TSH ANP 0.02942 0.40975 12.766
189 4AVB ACO 0.000004422 0.54235 13.2979
190 1V0C KNC 0.000003793 0.42288 13.2979
191 1V0C ACO 0.000003958 0.40393 13.2979
192 2ZBA COA 0.02444 0.40054 13.2979
193 3CH5 GDP 0.03214 0.40424 13.4615
194 5HGZ ACO 0.00002415 0.51136 13.8298
195 1G7C 5GP 0.01219 0.42962 13.8298
196 3H0L ADP 0.01523 0.42876 13.8298
197 5OCA 9QZ 0.04815 0.41917 13.8298
198 1M4I KAN 0.001076 0.41153 14.3646
199 1M4I COA 0.001076 0.41153 14.3646
200 1M4I PAP 0.001076 0.41153 14.3646
201 2QN6 GDP 0.0475 0.40235 15.0538
202 4QM7 GTP 0.008788 0.43697 15.2047
203 1IYK MYA 0.0009642 0.42589 15.9574
204 1BOB ACO 0.00001159 0.52964 16.4894
205 4PSW COA 0.00008294 0.52268 16.4894
206 1I1D COA 0.000003129 0.55399 16.7702
207 1I1D 16G 0.00003567 0.48035 16.7702
208 3UUA 0CZ 0.02923 0.4099 18.617
209 1TIQ COA 0.00002206 0.55679 20.5556
210 5H86 BCO 0.0001837 0.46325 20.8333
211 3GJ3 GDP 0.02123 0.41713 21.2121
212 4QC6 30N 0.000003366 0.55813 21.229
213 4MGA 27L 0.0231 0.416 21.8085
214 4MGD 27N 0.03245 0.40074 21.8085
215 1PUA COA 0.0001683 0.49769 22.6994
216 1Q2D COA 0.0001487 0.5052 22.8395
217 1QSN COA 0.0002049 0.49375 22.8395
218 1QSR ACO 0.0001335 0.48013 22.8395
219 1Q2C COA 0.00594 0.41655 22.8395
220 3GJ5 GDP 0.02118 0.41719 23.5294
221 4XPL ACO 0.0002026 0.49887 23.9264
222 3GJ4 GDP 0.02269 0.41562 24.2424
223 2CUN 3PG 0.02342 0.41151 28.7234
224 2CNT COA 0.000001233 0.46198 31.875
225 1O9U ADZ 0.0325 0.40153 33.3333
Pocket No.: 3; Query (leader) PDB : 3R96; Ligand: AMP; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F5Z BEZ 0.01703 0.43154 None
2 3IUY AMP 0.01451 0.42672 None
3 5O0X FAD 0.03241 0.40852 1.06383
4 1SNN 5RP 0.01759 0.41857 3.19149
5 4FFG 0U8 0.04315 0.40936 3.19149
6 3WH2 FLC 0.04813 0.40662 3.40136
7 1BGV GLU 0.03741 0.41446 3.7234
8 5MZN ADP 0.04167 0.41019 4.25532
9 1JG3 VAL TYR PRO IAS HIS ALA 0.03999 0.40372 4.25532
10 2ZTG A5A 0.02485 0.40118 4.25532
11 4PX9 ADP 0.04596 0.40054 4.25532
12 5GJC ATP 0.04673 0.40015 4.25532
13 5JH2 A2P 0.003463 0.4639 4.78723
14 5HWV MBN 0.01895 0.429 5.38462
15 2RCN GDP 0.03896 0.40432 5.85106
16 3FAL REA 0.02068 0.41148 6.38298
17 5AHO TLA 0.0312 0.41295 6.91489
18 1KY3 GDP 0.02733 0.40224 7.14286
19 3NIM ARG ARG ALA ALA 0.03715 0.40198 9.7561
20 1KK8 BEF ADP 0.01985 0.40585 10.0719
21 3W6G FLC 0.03894 0.41182 12.766
22 5HGZ MLA 0.002474 0.49938 13.8298
23 4J24 EST 0.03924 0.40076 17.0213
24 1YTM OXD 0.03202 0.41082 19.1489
25 1TV5 N8E 0.04492 0.41528 19.6809
26 4QC6 KAN 0.04083 0.40325 21.229
27 4B1V LAB 0.02491 0.4145 28.125
Pocket No.: 4; Query (leader) PDB : 3R96; Ligand: ACO; Similar sites found: 31
This union binding pocket(no: 4) in the query (biounit: 3r96.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F5Z BEZ 0.01703 0.43154 None
2 3IUY AMP 0.01451 0.42672 None
3 5O0X FAD 0.03241 0.40852 1.06383
4 1RDL MMA 0.008255 0.4517 2.65487
5 1EYQ NAR 0.02658 0.41686 2.65957
6 4MAF ADX 0.0193 0.40643 2.65957
7 1SNN 5RP 0.01759 0.41857 3.19149
8 4FFG 0U8 0.04315 0.40936 3.19149
9 3WH2 FLC 0.04813 0.40662 3.40136
10 5MZN ADP 0.04167 0.41019 4.25532
11 1JG3 VAL TYR PRO IAS HIS ALA 0.03999 0.40372 4.25532
12 2ZTG A5A 0.02485 0.40118 4.25532
13 4PX9 ADP 0.04596 0.40054 4.25532
14 5GJC ATP 0.04673 0.40015 4.25532
15 1PVC ILE SER GLU VAL 0.00131 0.52154 4.78723
16 5JH2 A2P 0.003463 0.4639 4.78723
17 5HWV MBN 0.01895 0.429 5.38462
18 2RCN GDP 0.03896 0.40432 5.85106
19 3FAL REA 0.02068 0.41148 6.38298
20 5AHO TLA 0.0312 0.41295 6.91489
21 1KY3 GDP 0.02733 0.40224 7.14286
22 3NIM ARG ARG ALA ALA 0.03715 0.40198 9.7561
23 1KK8 BEF ADP 0.01985 0.40585 10.0719
24 3HQP FDP 0.04211 0.40254 10.1064
25 3W6G FLC 0.03894 0.41182 12.766
26 5HGZ MLA 0.002474 0.49938 13.8298
27 4J24 EST 0.03924 0.40076 17.0213
28 1YTM OXD 0.03202 0.41082 19.1489
29 1TV5 N8E 0.04492 0.41528 19.6809
30 4QC6 KAN 0.04083 0.40325 21.229
31 4B1V LAB 0.02491 0.4145 28.125
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