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Receptor
PDB id Resolution Class Description Source Keywords
4G1C 1.94 Å EC: 3.5.1.- HUMAN SIRT5 BOUND TO SUCC-IDH2 AND CARBA-NAD HOMO SAPIENS SIRTUIN SUCCINYLATED PEPTIDE CARBANAD HYDROLASE
Ref.: SYNTHESIS OF CARBA-NAD AND THE STRUCTURES OF ITS TE COMPLEXES WITH SIRT3 AND SIRT5. J.ORG.CHEM. V. 77 7319 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE ALA VAL SLL CYS ALA NH2 D:0;
E:0;
Valid;
Valid;
none;
none;
submit data
631.752 n/a SCC(N...
CNA A:402;
Valid;
none;
submit data
662.46 C22 H30 N7 O13 P2 c1cc(...
ZN A:401;
B:401;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EQS 1.32 Å EC: 3.5.1.- HUMAN SIRT5 IN COMPLEX WITH STALLED PEPTIDYLIMIDATE INTERMED INHIBITORY COMPOUND 29 HOMO SAPIENS HYDROLASE PTM INHIBITOR SIGNALING PROTEIN
Ref.: MECHANISM-BASED INHIBITORS OF THE HUMAN SIRTUIN 5 D STRUCTURE-ACTIVITY RELATIONSHIP, BIOSTRUCTURAL, AND INSIGHT. ANGEW. CHEM. INT. ED. ENGL. V. 56 14836 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 6EQS - BV8 C47 H63 N11 O19 P2 S CC(C)NC(=O....
2 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
3 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 6EQS - BV8 C47 H63 N11 O19 P2 S CC(C)NC(=O....
2 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
3 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 6FLG ic50 = 30.3 nM GZB VAL LEU DQK GLU TYR GLY VAL n/a n/a
5 6ENX - BJW C48 H64 N10 O19 P2 S CC(C)NC(=O....
6 6EO0 - BVT C47 H63 N11 O19 P2 S CC(C)NC(=O....
7 4UTV Ki = 100 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4BUZ - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
2 3D4B - THR SER ARG HIS LYS ALY LEU MET ALA n/a n/a
3 3D81 - SER ARG HIS LYS FZN LEU MET PHE n/a n/a
4 1S5P Kd = 0.44 uM LYS GLY GLY ALA ALY ARG HIS ARG n/a n/a
5 1M2K - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
6 1M2J - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
7 1M2G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
8 1ICI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1M2H - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
10 6EQS - BV8 C47 H63 N11 O19 P2 S CC(C)NC(=O....
11 2NYR - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
12 4G1C - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
13 6FLG ic50 = 30.3 nM GZB VAL LEU DQK GLU TYR GLY VAL n/a n/a
14 6ENX - BJW C48 H64 N10 O19 P2 S CC(C)NC(=O....
15 6EO0 - BVT C47 H63 N11 O19 P2 S CC(C)NC(=O....
16 4UTV Ki = 100 uM BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL n/a n/a
17 1S7G - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
18 1YC2 - APR C15 H23 N5 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACE ALA VAL SLL CYS ALA NH2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ALA VAL SLL CYS ALA NH2 1 1
Ligand no: 2; Ligand: CNA; Similar ligands found: 247
No: Ligand ECFP6 Tc MDL keys Tc
1 CNA 1 1
2 NXX 0.644068 0.972973
3 DND 0.644068 0.972973
4 NAD 0.642276 0.972603
5 A2D 0.62 0.958904
6 BA3 0.607843 0.958904
7 A3D 0.606299 0.959459
8 B4P 0.601942 0.958904
9 AP5 0.601942 0.958904
10 DQV 0.591667 0.972603
11 M33 0.590476 0.92
12 ATP 0.584906 0.932432
13 HEJ 0.584906 0.932432
14 AQP 0.579439 0.932432
15 5FA 0.579439 0.932432
16 APR 0.579439 0.932432
17 AR6 0.579439 0.932432
18 3OD 0.577586 0.933333
19 AGS 0.574074 0.884615
20 SAP 0.574074 0.884615
21 OAD 0.573913 0.933333
22 ADP 0.571429 0.932432
23 ACP 0.570093 0.907895
24 AT4 0.566038 0.896104
25 AN2 0.566038 0.92
26 OOB 0.561404 0.945946
27 CA0 0.560748 0.933333
28 AD9 0.559633 0.907895
29 A1R 0.556522 0.897436
30 A3R 0.556522 0.897436
31 ACQ 0.54955 0.907895
32 9X8 0.547009 0.884615
33 5AL 0.544643 0.92
34 ABM 0.542857 0.881579
35 GTA 0.540323 0.9
36 NAX 0.539683 0.911392
37 A22 0.53913 0.945946
38 DLL 0.538462 0.945946
39 00A 0.538462 0.897436
40 1ZZ 0.537815 0.831325
41 PRX 0.536364 0.858974
42 ANP 0.535714 0.907895
43 6YZ 0.535088 0.907895
44 9JJ 0.532895 0.9
45 ADX 0.53211 0.841463
46 AMP NAD 0.530303 0.945946
47 WAQ 0.529412 0.873418
48 AMP 0.528846 0.905405
49 A 0.528846 0.905405
50 6V0 0.527559 0.910256
51 NAI 0.527559 0.922078
52 TXD 0.527559 0.922078
53 50T 0.527273 0.894737
54 ATF 0.526316 0.896104
55 B5M 0.52459 0.909091
56 TXE 0.523438 0.922078
57 OMR 0.523438 0.843373
58 NAP 0.521739 0.959459
59 SRP 0.521739 0.921053
60 8QN 0.521368 0.92
61 3UK 0.521008 0.933333
62 NHD 0.518797 0.945946
63 4AD 0.516949 0.96
64 PAJ 0.516949 0.875
65 ADQ 0.516949 0.933333
66 B5V 0.516667 0.921053
67 9SN 0.516393 0.886076
68 NAQ 0.514493 0.910256
69 AHX 0.512605 0.910256
70 F2R 0.511278 0.855422
71 NFD 0.511111 0.922078
72 ZID 0.510791 0.959459
73 SON 0.509091 0.896104
74 APC 0.508929 0.896104
75 5SV 0.508475 0.817073
76 25L 0.508197 0.945946
77 48N 0.507812 0.886076
78 NAE 0.507246 0.934211
79 AP2 0.504587 0.896104
80 A12 0.504587 0.896104
81 AMO 0.504202 0.946667
82 PR8 0.504132 0.864198
83 DZD 0.503704 0.898734
84 BIS 0.5 0.873418
85 B5Y 0.5 0.909091
86 PTJ 0.5 0.8625
87 FYA 0.5 0.92
88 FA5 0.5 0.946667
89 ME8 0.5 0.853659
90 TXA 0.5 0.921053
91 T5A 0.496241 0.878049
92 AP0 0.496183 0.886076
93 8ID 0.496183 0.923077
94 9ZA 0.495798 0.873418
95 9ZD 0.495798 0.873418
96 T99 0.495652 0.896104
97 GAP 0.495652 0.907895
98 TAT 0.495652 0.896104
99 SRA 0.495327 0.858974
100 NA0 0.492958 0.946667
101 A4P 0.492424 0.857143
102 UP5 0.492308 0.934211
103 4UV 0.492063 0.909091
104 LAD 0.491803 0.875
105 AU1 0.491071 0.907895
106 LAQ 0.488372 0.831325
107 G3A 0.488189 0.910256
108 YAP 0.488 0.934211
109 NB8 0.487805 0.910256
110 DAL AMP 0.487395 0.92
111 N01 0.485507 0.945946
112 COD 0.485294 0.825581
113 G5P 0.484375 0.910256
114 4UU 0.484375 0.909091
115 AFH 0.484375 0.875
116 XAH 0.484127 0.853659
117 25A 0.483333 0.932432
118 NDC 0.482993 0.910256
119 EAD 0.482517 0.911392
120 4UW 0.480916 0.875
121 NDE 0.479452 0.946667
122 ADV 0.478261 0.896104
123 ADP PO3 0.478261 0.931507
124 RBY 0.478261 0.896104
125 80F 0.478261 0.878049
126 NJP 0.477941 0.96
127 IOT 0.477612 0.823529
128 ADJ 0.474074 0.865854
129 139 0.474074 0.911392
130 4TC 0.473684 0.910256
131 MYR AMP 0.472 0.831325
132 P1H 0.469388 0.888889
133 NGD 0.466667 0.923077
134 TYM 0.466165 0.946667
135 MAP 0.46281 0.884615
136 ALF ADP 0.462185 0.860759
137 ADP ALF 0.462185 0.860759
138 YLP 0.462121 0.833333
139 BT5 0.460432 0.823529
140 NAJ 0.459854 0.945946
141 VO4 ADP 0.458333 0.92
142 ADP VO4 0.458333 0.92
143 M24 0.457746 0.864198
144 TAP 0.455172 0.897436
145 YLB 0.451852 0.833333
146 YLC 0.451852 0.853659
147 GA7 0.450382 0.896104
148 7MD 0.450382 0.876543
149 HFD 0.449153 0.884615
150 ADP BMA 0.448 0.933333
151 AMP DBH 0.446154 0.907895
152 TYR AMP 0.446154 0.934211
153 LMS 0.445455 0.797619
154 FB0 0.443709 0.797753
155 NAJ PZO 0.443662 0.886076
156 AHZ 0.443609 0.831325
157 0WD 0.442857 0.910256
158 54H 0.442623 0.781609
159 VMS 0.442623 0.781609
160 A2R 0.442623 0.92
161 7MC 0.441176 0.855422
162 PAP 0.440678 0.918919
163 7D4 0.439655 0.846154
164 ITT 0.439655 0.88
165 ARG AMP 0.439394 0.843373
166 8X1 0.439024 0.766667
167 TSB 0.439024 0.811765
168 AYB 0.438849 0.823529
169 A5A 0.438017 0.8
170 AOC 0.4375 0.789474
171 YLY 0.4375 0.823529
172 G5A 0.436975 0.793103
173 LEU LMS 0.436508 0.786517
174 TAD 0.43609 0.875
175 AVV 0.435484 0.8625
176 5AS 0.434783 0.752809
177 3AT 0.433333 0.906667
178 A A 0.433071 0.932432
179 BTX 0.432624 0.833333
180 2A5 0.432203 0.858974
181 DSZ 0.432 0.813953
182 LSS 0.432 0.775281
183 NPW 0.431655 0.9
184 YLA 0.431655 0.833333
185 52H 0.430894 0.772727
186 ATP A A A 0.430769 0.945205
187 UPA 0.430657 0.922078
188 6AD 0.429752 0.851852
189 9K8 0.429688 0.728261
190 LPA AMP 0.42963 0.831325
191 ATR 0.428571 0.905405
192 NVA LMS 0.428571 0.786517
193 N0B 0.428571 0.855422
194 53H 0.427419 0.772727
195 6FA 0.425806 0.855422
196 ODP 0.425532 0.923077
197 NA7 0.425197 0.896104
198 SSA 0.422764 0.813953
199 MTA 0.422018 0.74359
200 P5A 0.421875 0.758242
201 NDO 0.421769 0.933333
202 NDP 0.421429 0.910256
203 NSS 0.420635 0.835294
204 FAS 0.420382 0.865854
205 FAD 0.420382 0.865854
206 8PZ 0.419847 0.835294
207 5N5 0.419048 0.786667
208 JB6 0.418605 0.873418
209 NZQ 0.41844 0.898734
210 TXP 0.41844 0.910256
211 7D3 0.417391 0.846154
212 EP4 0.416667 0.725
213 5CA 0.416 0.813953
214 5CD 0.415094 0.773333
215 3DH 0.414414 0.74359
216 A3P 0.413793 0.905405
217 RAB 0.413462 0.810811
218 ADN 0.413462 0.810811
219 XYA 0.413462 0.810811
220 AF3 ADP 3PG 0.413043 0.851852
221 DTA 0.412844 0.779221
222 4TA 0.412587 0.865854
223 NAJ PYZ 0.412162 0.843373
224 SFD 0.411392 0.747368
225 3AM 0.410714 0.866667
226 F2N 0.410714 0.827586
227 FDA 0.410256 0.825581
228 62F 0.409938 0.853659
229 FNK 0.409938 0.818182
230 DTP 0.409836 0.87013
231 AR6 AR6 0.407407 0.932432
232 P5F 0.407186 0.837209
233 PPS 0.406504 0.819277
234 ARU 0.40625 0.807229
235 YSA 0.406015 0.813953
236 AV2 0.403226 0.857143
237 649 0.402878 0.777778
238 XNP 0.402778 0.8875
239 A4D 0.401869 0.786667
240 DCA 0.401361 0.816092
241 ETB 0.401361 0.825581
242 FA9 0.4 0.878049
243 SMM 0.4 0.72093
244 GSU 0.4 0.793103
245 KAA 0.4 0.766667
246 5X8 0.4 0.779221
247 M2T 0.4 0.728395
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EQS; Ligand: BV8; Similar sites found with APoc: 265
This union binding pocket(no: 1) in the query (biounit: 6eqs.bio2) has 95 residues
No: Leader PDB Ligand Sequence Similarity
1 2HMT NAI None
2 5KK4 44E None
3 4IF4 BEF 0.961538
4 1IM8 SAI 1.22951
5 4TQG NDP 1.45455
6 1P77 ATR 1.47059
7 2D3N GLC GLC GLC 1.81818
8 2GJP MAL 1.81818
9 2JBM SRT 1.81818
10 3VC1 SAH 1.81818
11 1W6U NAP 1.81818
12 1W8D NAP 1.81818
13 4LWP SAH 1.81818
14 2PT9 S4M 1.81818
15 1HYH NAD 1.81818
16 1W73 NAP 1.81818
17 1RJW ETF 1.81818
18 3DXY SAM 1.83486
19 6F9Q NAD 1.83824
20 2AG8 NAP 1.90114
21 4DMG SAM 2.18182
22 3VYW SAM 2.18182
23 4YAC NAI 2.18182
24 5T63 ALA ALA ALA ALA 2.18182
25 2IYF UDP 2.18182
26 1KPG SAH 2.18182
27 1KYQ NAD 2.18978
28 2NXE SAM 2.3622
29 2R4V GSH 2.42915
30 3GEG NAD 2.42915
31 3GU3 SAH 2.46479
32 1P1C SAH 2.51256
33 2Q28 ADP 2.54545
34 5X62 SAH 2.54545
35 4KIB SAH 2.54545
36 1O97 FAD 2.54545
37 1O97 AMP 2.54545
38 1OS7 TAU 2.54545
39 5KOK SAH 2.54545
40 3MCT SAH 2.54545
41 3ITJ CIT 2.54545
42 3GCZ SAM 2.54545
43 2G5C NAD 2.54545
44 4IKZ AFS 2.54545
45 3H8V ATP 2.54545
46 3VPH NAD 2.54545
47 3VPH OXM 2.54545
48 4DCM SAM 2.54545
49 5THY SAH 2.54545
50 1DMR PGD 2.54545
51 5ULP KB1 2.61194
52 3BGD SAH 2.69231
53 3OFK SAH 2.77778
54 1C4Q GLA GAL BGC 2.89855
55 5H6S HDH 2.90909
56 2C31 ADP 2.90909
57 2C31 TZD 2.90909
58 1V5F TPP 2.90909
59 1V5F FAD 2.90909
60 2YX1 SFG 2.90909
61 3GWZ SAH 2.90909
62 4RDH AMP 2.90909
63 4RDI ATP 2.90909
64 5Y8L HUI 2.90909
65 5Y8L NAD 2.90909
66 4Z87 GDP 2.90909
67 4YMH SAH 2.91667
68 2BOS GLA GAL GLC NBU 2.94118
69 2BOS GLA GAL GLC 2.94118
70 3ABI NAD 3.0137
71 3I9U DTU 3.04183
72 2ZX2 RAM 3.07692
73 3ZJQ NCA 3.07692
74 1XXR MAN 3.10559
75 6DUB SAH 3.15315
76 4UXU MLK 3.21101
77 3ZOK GLY 3.27273
78 2EG5 SAH 3.27273
79 5NGL NOJ BGC 3.27273
80 3EYA FAD 3.27273
81 2V3V MGD 3.27273
82 1PL6 NAD 3.27273
83 1TPY SAH 3.27273
84 1GZ6 NAI 3.27273
85 1ORR NAD 3.27273
86 3KB6 NAD 3.27273
87 1UAY ADN 3.30579
88 5YW5 ADE 3.35196
89 3K7S R52 3.35196
90 1JG3 ADN 3.40426
91 1QCI ADE 3.43511
92 2OCI TYC 3.54331
93 1X87 NAD 3.62976
94 2CXG GLC GLC 3.63636
95 2H8Z 8CM 3.63636
96 5KVA SAM 3.63636
97 6DEN FAD 3.63636
98 6DEN TP9 3.63636
99 6DEN G8A 3.63636
100 2DPM SAM 3.63636
101 4D3F NAP 3.63636
102 4G05 JZ3 3.63636
103 4A59 AMP 3.63636
104 2C2A ADP 3.63636
105 3TKA SAM 3.63636
106 5FA5 MTA 3.63636
107 3LKZ SFG 3.63636
108 1G55 SAH 3.63636
109 2VDV SAM 3.65854
110 1UYY BGC BGC 3.81679
111 5GVR LMR 3.84615
112 5ZZ6 ADP 3.84615
113 2BZG SAH 3.87931
114 4UYF 73B 3.8961
115 6F5Z SAH 3.8961
116 1ZQ9 SAM 4
117 4POO SAM 4
118 1LTH NAD 4
119 1GY8 NAD 4
120 5WP5 SAH 4
121 4AZW SAM 4
122 3GRU AMP 4
123 3EF0 ALF 4
124 2VT3 ATP 4.18605
125 1LSS NAD 4.28571
126 5LW0 AR6 4.329
127 5W75 SUC 4.36364
128 1BXG NAD 4.36364
129 1O5Q PYR 4.36364
130 5OCS CIT 4.36364
131 1BW9 NAD 4.36364
132 1C1X NAD 4.36364
133 6C4A PYR 4.36364
134 1L1E SAH 4.36364
135 1NJR XYL 4.36364
136 6CEP NAD 4.36364
137 2ZIF SAM 4.36364
138 6BQ6 TER 4.36364
139 2O07 MTA 4.36364
140 1R18 SAH 4.40529
141 2PNZ 5GP 4.41767
142 5BW4 SAM 4.49438
143 3LCC SAH 4.68085
144 4Y9D NAI 4.72727
145 4GK9 MAN BMA MAN MAN MAN 4.72727
146 2FK8 SAM 4.72727
147 5E72 SAM 4.72727
148 1Y8Q ATP 4.72727
149 1I1N SAH 4.86726
150 1P6D 3PC 4.89796
151 2HNK SAH 5.02092
152 4UP5 94W 5.05051
153 4Y4V DAL 5.09091
154 5MPT SAH 5.09091
155 1WP4 NDP 5.09091
156 2CVZ NDP 5.09091
157 6DNT NAD 5.09091
158 1O94 ADP 5.09091
159 1KYZ SAH 5.09091
160 1DJN ADP 5.09091
161 5IL1 SAM 5.09091
162 2EFJ SAH 5.09091
163 1WVG APR 5.09091
164 2EJU SAH 5.09091
165 1L7N ALF 5.21327
166 5ZW3 SAH 5.33333
167 4D5G FAD 5.45455
168 4D5G TPP 5.45455
169 1FP2 SAH 5.45455
170 1LFO OLA 5.46875
171 1BKC INN 5.46875
172 3MQ2 SAH 5.50459
173 1QXA GLY GLY GLY 5.53191
174 5LOG SAH 5.5794
175 1ZEM NAD 5.72519
176 3L9W AMP 5.81818
177 1T9D PYD 5.81818
178 1T9D 1MM 5.81818
179 1T9D P25 5.81818
180 1T9D FAD 5.81818
181 5WKC FAD 5.81818
182 5JE8 NAD 5.81818
183 2ATJ BHO 5.81818
184 5OJL TXP 5.81818
185 4OKD GLC GLC GLC 5.81818
186 4N4J HG1 5.81818
187 5F8F SFG 5.81818
188 3L9W GSH 5.81818
189 4C4A SAH 5.81818
190 5O2Z FLC 5.88235
191 5UFN SAH 5.88235
192 2CDU ADP 6.18182
193 1NV8 MEQ 6.18182
194 5L95 AMP 6.25
195 1PJS NAD 6.54545
196 5WXU FLC 6.54545
197 2FAH MLA 6.54545
198 6ECT SAM 6.54545
199 1R27 MGD 6.54545
200 2IV2 2MD 6.54545
201 3TKY SAH 6.54545
202 2XYQ SAH 6.55738
203 2BFR ADP 6.77083
204 3G89 SAM 6.82731
205 4L2I FAD 6.84411
206 2PNC CLU 6.90909
207 4KGD FAD 6.90909
208 4KGD TDP 6.90909
209 1IGW PYR 6.90909
210 1P31 EPU 6.90909
211 1N2X SAM 6.90909
212 2HJR APR 6.90909
213 1FP1 SAH 6.90909
214 2PWY SAH 6.97674
215 1EFV FAD 7.05882
216 1EFV AMP 7.05882
217 5N5D SAM 7.07965
218 5HJM MTA 7.27273
219 5XNC MTA 7.27273
220 5YF1 SFG 7.27273
221 3T7S SAM 7.46269
222 5E1M SAH 7.46888
223 3GDH SAH 7.46888
224 1YBH FAD 7.63636
225 4KRI SAH 7.63636
226 3PT9 SAH 8
227 4YDD MGD 8
228 4YDD MD1 8
229 3L8G GMB 8.02139
230 6B4H IHP 8.21918
231 1V59 NAD 8.36364
232 3EGI ADP 8.73786
233 3BQF SSM 8.76289
234 3EYK EYK 9.09091
235 1F3L SAH 9.09091
236 1EJ0 SAM 9.44444
237 1ZHS NAG NAG BMA MAN MAN 9.73451
238 2AOT SAH 9.81818
239 3JWH SAH 10.1382
240 6APL C5P 10.1818
241 1EU1 MGD 10.1818
242 1L3I SAH 10.4167
243 5H4S RAM 10.5455
244 1DJL NAP 10.628
245 3VSE SAH 11.2727
246 5DNK SAH 11.2727
247 2JHP SAH 11.6364
248 1PNO NAP 11.6667
249 1D4O NAP 11.9565
250 1G8K MGD 12
251 2OOR TXP 12.069
252 4II2 ATP 13.253
253 4ZGS NAD 13.4545
254 1QAN SAH 13.5246
255 1SQL GUN 13.6986
256 4QTU SAM 14.4231
257 3QV1 NAD 14.6341
258 1GXU 2HP 15.3846
259 4NTO 1PW 15.4589
260 6D6Y SAH 16.3636
261 3CBG SAH 17.6724
262 5A3B APR 18.1518
263 1GG6 APL 24.7423
264 2FKA BEF 27.907
265 3U31 NAD 45.4545
Pocket No.: 2; Query (leader) PDB : 6EQS; Ligand: BV8; Similar sites found with APoc: 48
This union binding pocket(no: 2) in the query (biounit: 6eqs.bio4) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 1R1Q ACE ARG GLU PTR VAL ASN VAL None
2 2NLQ GLY None
3 1NSA BEN 1.45455
4 1QPR PHT 1.81818
5 2EB5 OXL 2.24719
6 4K6B GLU 2.48447
7 1HFU NAG NDG 2.54545
8 1D8C SOR 2.54545
9 5IWQ PLP 2.54545
10 3B20 NAD 2.54545
11 4KRG SAH 2.54545
12 3GGO NAI 2.54545
13 4DE3 DN8 2.6616
14 4LS3 HIS 2.90909
15 2C6Q IMP 3.27273
16 1ZGS XMM 3.27273
17 5LD5 NAD 3.27273
18 6D5E FVG 3.59281
19 6D56 FVM 3.59281
20 5HCT 61P 3.63636
21 2P41 SAH 3.63636
22 4G6I RS3 3.80952
23 3DUW SAH 4.03587
24 4LFL TG6 4.06977
25 4I4S LAT 4.10959
26 3A3B RBF 4.21053
27 1R6N 434 4.2654
28 4CQM NAP 4.5977
29 5ZI9 FLC 4.61538
30 6CZ7 MGD 4.72727
31 1O9P MLA 5.07246
32 1YXM ADE 5.09091
33 3LKF PC 5.09091
34 2JJQ SAH 5.09091
35 6MDE MEV 6.18182
36 4N49 SAM 6.90909
37 3CYQ AMU 7.24638
38 2Q1A 2KT 8
39 3PH4 AOS 10.0592
40 1NM5 NAP 10.3448
41 1NM5 NAD 10.3448
42 4V1F BQ1 10.4651
43 1UWK NAD 11.2727
44 1UWK URO 11.2727
45 3UNG ADP 12.7273
46 3SSO SAH 12.7273
47 2YIP YIO 17.3913
48 6G7N DGL 19.6364
Pocket No.: 3; Query (leader) PDB : 6EQS; Ligand: BV8; Similar sites found with APoc: 92
This union binding pocket(no: 3) in the query (biounit: 6eqs.bio1) has 78 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4U0W 16G 0.813008
3 2IOY RIP 1.45455
4 4A6D SAM 1.45455
5 4L8V NAP 1.81818
6 2PT9 2MH 1.81818
7 2I7C AAT 1.81818
8 2H6T IVA VAL VAL STA ALA STA 2.18182
9 4AQ4 G3P 2.18182
10 4MO4 ACP 2.18182
11 2IXB NAD 2.18182
12 4OM8 NAD 2.18182
13 2UXI G50 2.38095
14 4NBU NAI 2.4
15 1ZDQ MSM 2.54545
16 1XDS SAM 2.54545
17 6C5B SAH 2.54545
18 1RLZ NAD 2.54545
19 3GGO ENO 2.54545
20 4GGZ BTN 2.6087
21 4M1U A2G MBG 2.85714
22 5X7Q GLC GLC GLC 2.90909
23 5X7Q GLC GLC GLC GLC 2.90909
24 3LST SAH 2.90909
25 2QZX IVA VAL VAL STA ALA STA 2.90909
26 6BSW UDP 2.90909
27 3D1R FBP 2.90909
28 2F1K NAP 2.90909
29 3ZV6 NAD 2.90909
30 4FGC PQ0 3.0303
31 4MPO AMP 3.26797
32 4PTN PYR 3.27273
33 1RZM E4P 3.27273
34 1ZGA SAH 3.27273
35 3DMH SAM 3.27273
36 1SC6 NAD 3.27273
37 2C49 ADN 3.27273
38 5WHU SIA 3.3557
39 5WHU SIA GAL GLC 3.3557
40 5WSY 7UC 3.46821
41 3BP1 GUN 3.63636
42 3VSV XYS 3.63636
43 4L9I 8PR 3.63636
44 4CYI ATP 3.63636
45 3OA2 NAD 3.63636
46 5CUQ NSC 3.74532
47 2FR1 NDP 4
48 1VKO NAD 4
49 3FZG SAM 4
50 5NM7 GLY 4.13534
51 5DUS APR 4.16667
52 4HXY NDP 4.36364
53 3GFB NAD 4.36364
54 2O07 SPD 4.36364
55 1I9G SAM 4.36364
56 3EWP APR 4.51977
57 3DUV KDO 4.58015
58 4JK3 NAD 4.6332
59 3UYW TAU 4.6729
60 4IYO NAK 4.72727
61 3OKP GDD 4.72727
62 2GND MAN MMA 4.7619
63 2PHR MAN MAN 4.7619
64 2PHF MAN MAN 4.7619
65 2PHW MAN MAN 4.7619
66 2AUY NAG MAN MMA 4.7619
67 3G5N PB2 5.09091
68 4ZSI GLP 5.26316
69 2PAR TMP 5.47264
70 2YVJ NAI 5.50459
71 4DVE BTN 5.55556
72 2ZFU SAH 5.5814
73 1J71 THR ILE THR SER 5.81818
74 3EMY IVA VAL VAL STA ALA STA 5.81818
75 5Y0T TAT 5.81818
76 3B6R CRN 6.18182
77 1OMO NAD 6.18182
78 5WQJ 7N3 6.90909
79 5JJR SAH 7.27273
80 2G37 FAD 7.64526
81 5Z20 NAI 8
82 1T0S BML 8.13953
83 2BHZ MAL 9.09091
84 5X5U NAD 9.90099
85 5ZI2 ADP 10.1818
86 1NBU PH2 11.7647
87 4RDN 6MD 11.976
88 1TMO 2MD 13.0909
89 1A5Z NAD 14.5455
90 5LAU AR6 15.3846
91 1A8R GTP 17.6471
92 3MYZ TFX 23
Pocket No.: 4; Query (leader) PDB : 6EQS; Ligand: BV8; Similar sites found with APoc: 27
This union binding pocket(no: 4) in the query (biounit: 6eqs.bio3) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1DCP HBI None
2 1V6A TRE 1.81818
3 4GYS MLI 2.18182
4 2P3V SRT 2.34375
5 2HK9 ATR 2.54545
6 4D79 ATP 2.90909
7 6F5W KG1 2.90909
8 6BVI EC4 3.59281
9 6BVJ EAS 3.59281
10 3NV3 GAL NAG MAN 3.62319
11 1GPM CIT 3.63636
12 2ZQO NGA 3.84615
13 2XVM SAH 4.52261
14 3BXO SAM 4.60251
15 3FXU TSU 5.09091
16 5GMH RX8 5.09091
17 1SC3 MLI 6.17978
18 1HTW ADP 6.32911
19 5TVM PUT 7.05882
20 4RHS SIA SIA GAL 8.19672
21 3THR C2F 9.09091
22 2Z9I GLY ALA THR VAL 9.81818
23 2IZ1 ATR 10.5455
24 5LWY OLB 11.215
25 6FC1 MGP 14.0625
26 3FGZ BEF 28.125
27 1BHX ASP PHE GLU GLU ILE 40
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