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Receptor
PDB id Resolution Class Description Source Keywords
2AG5 1.84 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HUMAN DHRS6 HOMO SAPIENS PROTEIN-CO-FACTOR COMPLEX STRUCTURAL GENOMICS STRUCTURAL GCONSORTIUM SGC OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF HUMAN DHRS6, AN ORPHAN SHORT CH DEHYDROGENASE/REDUCTASE ENZYME: A NOVEL, CYTOSOLIC R-BETA-HYDROXYBUTYRATE DEHYDROGENASE J.BIOL.CHEM. V. 281 10291 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:2001;
B:1001;
C:3001;
D:4001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:5001;
B:5003;
C:5002;
D:5004;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
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
2AG5 1.84 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HUMAN DHRS6 HOMO SAPIENS PROTEIN-CO-FACTOR COMPLEX STRUCTURAL GENOMICS STRUCTURAL GCONSORTIUM SGC OXIDOREDUCTASE
Ref.: CHARACTERIZATION OF HUMAN DHRS6, AN ORPHAN SHORT CH DEHYDROGENASE/REDUCTASE ENZYME: A NOVEL, CYTOSOLIC R-BETA-HYDROXYBUTYRATE DEHYDROGENASE J.BIOL.CHEM. V. 281 10291 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
5 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
6 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
7 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
8 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
9 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
11 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
13 5YSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
15 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 5O43 Ki = 42 nM 9JQ C18 H14 F2 N2 O2 CN(c1ccc(c....
17 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
18 5O6X Ki = 6 nM 9MK C17 H12 F N O2 Cc1ccc2c(c....
19 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
20 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
22 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
26 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 5Z2L Kd = 45 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
29 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
31 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
33 5OJG - BUO C4 H6 O2 CC(=O)C(=O....
34 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
37 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
39 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2DTX - BMA C6 H12 O6 C([C@@H]1[....
41 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
42 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
44 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
45 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
46 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2AG5; Ligand: NAD; Similar sites found with APoc: 600
This union binding pocket(no: 1) in the query (biounit: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5OOH 9ZZ None
2 5OOH NAP None
3 1EZ4 NAD None
4 1BXG NAD None
5 2XOC ADE None
6 5T9E NAP None
7 3G4Q MCH None
8 1BW9 NAD None
9 3N8K D1X None
10 4UUU SAM None
11 1C1X NAD None
12 3KIH GDL None
13 2BOI MFU None
14 5T9F TYR None
15 5T9F NAP None
16 5C2N NAG None
17 1VBO MAN MAN MAN None
18 5MLR NAP 0.813008
19 5MLR GRQ 0.813008
20 1N7G NDP 0.813008
21 1N7G GDR 0.813008
22 6CEP OXM 0.813008
23 6CEP NAD 0.813008
24 3EJ0 11X 1.02041
25 2Q46 NAP 1.21951
26 3G2Y GF4 1.21951
27 3BXO SAM 1.25523
28 4JGP PYR 1.38249
29 6DNT NAD 1.62602
30 4GLL NAD 1.62602
31 5ZEC NAP 1.62602
32 3RFV NAI 1.62602
33 2X6T NAP 1.62602
34 1EQ2 NAP 1.62602
35 3RFV 15L 1.62602
36 3W6G FLC 1.85185
37 2GZ3 NAP 1.91257
38 5ZZ6 ADP 1.92308
39 5ZZ6 NAD 1.92308
40 2XVM SAH 2.01005
41 4PVD NDP 2.03252
42 2JJQ SAH 2.03252
43 3G2O SAM 2.03252
44 1V59 NAD 2.03252
45 1UDB UFG 2.03252
46 1UDB NAD 2.03252
47 6GKV SAH 2.03252
48 1SC6 NAD 2.03252
49 1PJS NAD 2.03252
50 5ZYN FAD 2.03252
51 1GUZ NAD 2.03252
52 6ACS CIT 2.03252
53 2VN9 GVD 2.03252
54 5AHO TLA 2.03252
55 4YJ1 ADP 2.03252
56 1EJ0 SAM 2.22222
57 1P19 IMP 2.26244
58 2FR1 NDP 2.43902
59 1R6D NAD 2.43902
60 1R6D DAU 2.43902
61 5NM7 GLY 2.43902
62 5DNK SAH 2.43902
63 3O9Z AKG 2.43902
64 3O9Z NAD 2.43902
65 4XQC 13D 2.43902
66 4XQC NAD 2.43902
67 1ZGS XMM 2.43902
68 3QV1 NAD 2.43902
69 1OHE ACE ALA SEP PRO 2.43902
70 2PT9 2MH 2.43902
71 3WW2 SF9 2.43902
72 5CDH TLA 2.43902
73 2PT9 S4M 2.43902
74 1J5P NAD 2.43902
75 5X9D 80F 2.43902
76 1NPD NAD 2.43902
77 5Z21 NAI 2.43902
78 1R0X ATP 2.43902
79 2I7C AAT 2.43902
80 1QAN SAH 2.45902
81 4YMH SAH 2.5
82 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.6087
83 5URY PAM 2.73973
84 5DF1 NAP 2.84553
85 5DF1 58X 2.84553
86 1WVG APR 2.84553
87 4LHD GLY 2.84553
88 5ME4 HP4 2.84553
89 1V6A TRE 2.84553
90 1U1I NAD 2.84553
91 5ZI2 NAD 2.84553
92 3MB5 SAM 2.84553
93 5A1T NAI 2.84553
94 1GV0 NAD 2.84553
95 5ZI2 ADP 2.84553
96 5NUF NAD 2.84553
97 1NVT NAP 2.84553
98 3B20 NAD 2.84553
99 5A1T OXM 2.84553
100 5BW4 SAM 2.84553
101 2PZM UDP 2.84553
102 2PZM NAD 2.84553
103 2D2I NAP 2.84553
104 5NUE NAD 2.84553
105 4KRG SAH 2.84553
106 4LWP SAH 2.84553
107 1TI7 NAP 2.84553
108 1ZGA SAH 2.84553
109 5YJI 8WO 2.84553
110 5YJI SAH 2.84553
111 1P7T PYR 2.84553
112 1SZO CAX 2.84553
113 2YFB SIN 2.84553
114 1D1T NAD 2.84553
115 2VUT NAD 2.84553
116 3B1J NAD 2.84553
117 5Y8L NAD 2.84553
118 4NTO 1PW 2.89855
119 3T7S SAM 2.98507
120 1Z0N BCD 3.125
121 2GN4 UD1 3.25203
122 2GN4 NDP 3.25203
123 1RKX NAD 3.25203
124 4NEC SAH 3.25203
125 1G60 SAM 3.25203
126 3V1Y NAD 3.25203
127 3H5N ATP 3.25203
128 4N49 SAM 3.25203
129 4Z0H NAD 3.25203
130 1J0X NAD 3.25203
131 3FRH SAH 3.25203
132 4M00 SUC 3.25203
133 1KYZ SAH 3.25203
134 4AT0 FAD 3.25203
135 1IXI 2HP 3.25203
136 1ZH8 NAP 3.25203
137 3FSY SCA 3.31325
138 2RIF AMP 3.5461
139 3VPH OXM 3.54839
140 3VPH NAD 3.54839
141 3LU1 NAD 3.65854
142 1SB8 UD2 3.65854
143 1SB8 NAD 3.65854
144 5W7M SAH 3.65854
145 1RM0 D6P 3.65854
146 1RM0 NAI 3.65854
147 5JGL SAM 3.65854
148 5E9W SAH 3.65854
149 1UXG FUM 3.65854
150 1UXG NAD 3.65854
151 3CIF NAD 3.65854
152 6ECW SAH 3.65854
153 3GU3 SAH 3.65854
154 6F8N NAG NAG 3.65854
155 1GAD NAD 3.65854
156 6A0S HSE 3.65854
157 6A0S NDP 3.65854
158 1HDG NAD 3.65854
159 2AWN ADP 3.65854
160 1PCA CIT 3.65854
161 1GR0 NAD 3.65854
162 3FXU TSU 3.65854
163 1MUU NAD 3.65854
164 6ECU SAH 3.65854
165 1Q19 SSC 3.65854
166 1LVL NAD 3.65854
167 2HYV UAP SGN IDS SGN IDS 3.65854
168 1DSS NAD 3.65854
169 3CIF G3H 3.65854
170 2CVZ NDP 3.65854
171 2DKH FAD 3.65854
172 3DXY SAM 3.66972
173 3JWH SAH 3.68664
174 3OFK SAH 3.7037
175 3EW2 BTN 3.7037
176 6HDT BTN 3.7594
177 3LCC SAH 3.82979
178 1EK6 NAI 4.06504
179 4ZRN NAD 4.06504
180 4ZRN UPG 4.06504
181 1EK6 UPG 4.06504
182 6BWL NAD 4.06504
183 5MSO NAP 4.06504
184 6D6Y SAH 4.06504
185 1YS4 NAP 4.06504
186 3G89 SAM 4.06504
187 1RJD SAM 4.06504
188 1WP4 NDP 4.06504
189 3FPF TNA 4.06504
190 3FPF MTA 4.06504
191 3GRU AMP 4.06504
192 5H81 NAP 4.06504
193 4DMG SAM 4.06504
194 5YU3 NAD 4.06504
195 5YU3 PRO 4.06504
196 4MOP 2H5 4.06504
197 4KRI SAH 4.06504
198 1OMO NAD 4.06504
199 1MV8 NAD 4.06504
200 4OOE NDP 4.06504
201 2YVJ NAI 4.06504
202 2VYN NAD 4.06504
203 5E9H MLI 4.06504
204 1QO8 FAD 4.06504
205 1O0S NAI 4.06504
206 3S6X SIA GAL BGC 4.06504
207 2VT3 ATP 4.18605
208 3C3Y SAH 4.21941
209 2DC1 NAD 4.23729
210 4GGZ BTN 4.34783
211 1VM6 NAD 4.38596
212 1E7S NAP 4.47154
213 4OBW SAM 4.47154
214 1KYQ NAD 4.47154
215 4M37 SAH 4.47154
216 4ZVV NAD 4.47154
217 2PWY SAH 4.47154
218 1R37 NAD 4.47154
219 1LTH NAD 4.47154
220 4ZVV GN0 4.47154
221 1T26 GBD 4.47154
222 1T26 NAI 4.47154
223 6BQ6 TER 4.47154
224 4M38 SAH 4.47154
225 3KB6 NAD 4.47154
226 2E5V FAD 4.47154
227 1H82 GZZ 4.47154
228 1ICV NIO 4.60829
229 1Z45 NAD 4.87805
230 2Q1S NAI 4.87805
231 2VDV SAM 4.87805
232 4KIB SAH 4.87805
233 4D3F NAP 4.87805
234 4GKV NAD 4.87805
235 1ZQ9 SAM 4.87805
236 3GGO NAI 4.87805
237 3GGO ENO 4.87805
238 3GCZ SAM 4.87805
239 5O9F NAD 4.87805
240 5O9F 9ON 4.87805
241 2OBF SAH 4.87805
242 2OBF F83 4.87805
243 3WLE NAD 4.87805
244 2G5C NAD 4.87805
245 1YQZ FAD 4.87805
246 1XKD ICT 4.87805
247 5GZ6 NDP 4.90798
248 2UYQ SAM 5.16129
249 4Z28 BTN 5.22388
250 5XWV NDP 5.28455
251 6EL3 NAP 5.28455
252 5XWV 8H6 5.28455
253 1BXK NAD 5.28455
254 1KEW NAD 5.28455
255 1KEW TYD 5.28455
256 2Q1W NAD 5.28455
257 5MPT SAH 5.28455
258 1RPN NDP 5.28455
259 3H8V ATP 5.28455
260 5L95 AMP 5.28455
261 5WP4 SAH 5.28455
262 1VKO NAD 5.28455
263 2F1K NAP 5.28455
264 5THZ SAH 5.28455
265 3X0D SAH 5.28455
266 5ENZ UDP 5.28455
267 3GFB NAD 5.28455
268 5D4V SAH 5.28455
269 4NV0 MG7 5.28455
270 4JK3 NAD 5.28455
271 3TLJ SAH 5.28455
272 1HYE NAP 5.28455
273 4DPL NAP 5.28455
274 2Q28 ADP 5.28455
275 2QRK AMP 5.28455
276 5MW4 5JU 5.28455
277 4QTU SAM 5.28846
278 5XLX SAH 5.31915
279 4J1Q NDP 5.69106
280 1OC2 TDX 5.69106
281 1OC2 NAD 5.69106
282 4U7W NDP 5.69106
283 1X87 NAD 5.69106
284 5WP5 SAH 5.69106
285 1F8G NAD 5.69106
286 1WDK NAD 5.69106
287 5HJM MTA 5.69106
288 3A25 SAM 5.69106
289 2IXB A2G 5.69106
290 2CVQ NDP 5.69106
291 5YJF 8WO 5.69106
292 5YJF SAH 5.69106
293 1H9A NAP 5.69106
294 4AP3 NAP 5.69106
295 4AP3 FAD 5.69106
296 2DFV NAD 5.76369
297 5E1M SAH 5.80913
298 3MQ2 SAH 5.9633
299 2OOR NAD 6.09756
300 3A4T SFG 6.09756
301 4WBD CIT 6.09756
302 1A5Z NAD 6.09756
303 1TZD ADP 6.09756
304 1J49 NAD 6.09756
305 3BEO UDP 6.09756
306 1PZG A3D 6.09756
307 5JE8 NAD 6.09756
308 5L4S NAP 6.50407
309 5L4S 6KX 6.50407
310 2IZ1 ATR 6.50407
311 5JAQ NAI 6.50407
312 4D79 ATP 6.50407
313 4RDH AMP 6.50407
314 3LST SAH 6.50407
315 4AZW SAM 6.50407
316 6ECT SAM 6.50407
317 4RDI ATP 6.50407
318 2VHW NAI 6.50407
319 4LUS TCE 6.50407
320 4JLS 3ZE 6.57895
321 1O6Z NAD 6.60066
322 4YEF 4CQ 6.74157
323 1GY8 NAD 6.91057
324 2C29 DQH 6.91057
325 2C29 NAP 6.91057
326 1CER NAD 6.91057
327 5BSZ SAH 6.91057
328 3PT9 SAH 6.91057
329 2B4R NAD 6.91057
330 3EVG SAH 6.91057
331 2B4R AES 6.91057
332 1UP7 NAD 6.91057
333 1F6D UDP 6.91057
334 3LKZ SFG 6.91057
335 4ONQ SFG 6.91057
336 2PV7 NAD 6.91057
337 1GTE FAD 6.91057
338 2P41 SAH 6.91057
339 5ULP KB1 6.91057
340 5UAV NDP 6.91057
341 5UAV TFB 6.91057
342 3LCV SAM 7.11744
343 4R2I ANP 7.14286
344 5L53 NAP 7.31707
345 1V35 NAI 7.31707
346 5FA5 MTA 7.31707
347 3BGD SAH 7.31707
348 1E5Q NDP 7.31707
349 4GQB 0XU 7.31707
350 1Y8Q ATP 7.31707
351 4L8V NAP 7.31707
352 4PNE SAH 7.31707
353 5JJR SAH 7.31707
354 5KOK SAH 7.31707
355 1LDM NAD 7.31707
356 5M58 SAH 7.3913
357 2PXX SAH 7.44186
358 4M73 SAH 7.71513
359 4M73 M72 7.71513
360 3ABI NAD 7.72358
361 3OA2 NAD 7.72358
362 3B1F NAD 7.72358
363 5YV5 ADP 7.72358
364 1YQT ADP 7.72358
365 5UR0 NAD 7.72358
366 1H2B NAJ 7.72358
367 5YSN 5AD 7.72358
368 3A27 SAM 7.72358
369 4YUW 4JU 7.72358
370 1CDO NAD 7.72358
371 1LDN NAD 7.72358
372 4YUW S4M 7.72358
373 3O7W SAM 7.82313
374 1VE3 SAM 7.92952
375 5XNC MTA 8.13008
376 3EGI ADP 8.13008
377 1P31 EPU 8.13008
378 3GDH SAH 8.13008
379 4XZ3 COA 8.13008
380 1LLU NAD 8.13008
381 2FZW NAD 8.13008
382 3O26 NDP 8.53659
383 4X1Z FUC GAL NDG 8.53659
384 3H9E NAD 8.53659
385 1NVM NAD 8.53659
386 9LDT NAD 8.53659
387 1HYH NAD 8.53659
388 1I2B USQ 8.53659
389 1I2B UPG 8.53659
390 1I2B NAD 8.53659
391 9LDB NAD 8.53659
392 6FDF SAH 8.68263
393 4G5H NAP 8.94309
394 4G5H UD7 8.94309
395 4PIV NDP 8.94309
396 3L9W AMP 8.94309
397 2HK9 ATR 8.94309
398 1SQF SAM 8.94309
399 1PL6 NAD 8.94309
400 1UWK URO 8.94309
401 1UWK NAD 8.94309
402 2EXX NAP 8.94309
403 3VSE SAH 8.94309
404 1PL6 572 8.94309
405 4M3P HCS 8.94309
406 4POO SAM 9
407 1SOW NAD 9.14634
408 3KO8 NAD 9.34959
409 5F8F SFG 9.34959
410 1FP1 SAH 9.34959
411 3I6I NDP 9.34959
412 2C7G FAD 9.34959
413 1KOL NAD 9.34959
414 2C7G ODP 9.34959
415 6DUB SAH 9.45946
416 2BZG SAH 9.48276
417 2WA2 SAM 9.7561
418 4FZV SAM 9.7561
419 1F8F NAD 9.7561
420 2ZJ5 ADP 9.7561
421 6BFN DL1 9.7561
422 5W7K SAH 10.1626
423 1G55 SAH 10.1626
424 1FP2 SAH 10.1626
425 2DT5 NAD 10.4265
426 4TQG NDP 10.5691
427 3OJO NAD 10.5691
428 5MGZ SAH 10.5932
429 5KEW 6SB 10.6383
430 5N0L ILE 10.6918
431 5THY SAH 10.9756
432 5LD5 NAD 10.9756
433 1BC5 SAH 10.9756
434 1E3I CXF 10.9756
435 1X9I G6Q 10.9756
436 1TL2 NDG 11.0169
437 5Z7B VNL 11.1111
438 5IN4 6CK 11.3821
439 5IN4 GDP 11.3821
440 5IN4 NAP 11.3821
441 4RSL FAD 11.3821
442 1X7D ORN 11.3821
443 1X7D NAD 11.3821
444 2A14 SAH 11.7886
445 5O4J 9KH 11.7886
446 5O4J PJL 11.7886
447 5O4J SAH 11.7886
448 2ZWA SAH 12.1951
449 4DCM SAM 12.1951
450 1NYT NAP 12.1951
451 3KYQ DPV 12.5628
452 4EUE NAI 13.0081
453 3ORF NAD 13.4146
454 2BKA NDP 13.4146
455 3L4S NAD 13.4146
456 5K7U SAM 13.4146
457 3L4S 3PG 13.4146
458 5IL1 SAM 13.4146
459 5YEC ATP 13.8211
460 2CDU ADP 13.8211
461 3CMC NAD 13.8211
462 2CDU FAD 13.8211
463 1ORR NAD 14.2276
464 2C5A NAD 14.2276
465 2C5A GDC 14.2276
466 5W7R SAH 14.6341
467 1XL8 152 15.0407
468 6AA8 NAD 15.4472
469 4HXY NDP 15.7534
470 5Y1G AKB 16.2602
471 5Y1G NAD 16.2602
472 4MDH NAD 16.6667
473 2HMT NAI 16.6667
474 5MDH NAD 16.6667
475 5BJX NAD 17.0732
476 5BJX UDP 17.0732
477 1Y1P NMN AMP PO4 17.0732
478 2YX1 SFG 17.0732
479 5DP2 NAP 17.4797
480 5FTW SAH 17.8862
481 1DCP HBI 18.2692
482 1N5D NDP 18.2927
483 2JHF NAD 19.1057
484 1U3U NAD 19.1057
485 1U3U BNF 19.1057
486 2YY7 NAD 19.5122
487 2DKN NAI 19.9187
488 4II2 ATP 20.4819
489 1LSS NAD 20.7143
490 5ERG SAM 21.5447
491 5KMS NAD 21.9512
492 5KMS FAD 21.9512
493 1HDR NAD 22.1311
494 3A4V PYR 22.7642
495 3A4V NAD 22.7642
496 1WMA NDP 23.9837
497 1WMA AB3 23.9837
498 3KIF GDL 24.5283
499 5E8J SAH 25
500 1P77 ATR 25.3676
501 1W73 NAP 26.0163
502 1W8D NAP 26.0163
503 1W6U NAP 26.8293
504 4Q9N NAI 27.6423
505 1D7O NAD 29.2683
506 1D7O TCL 29.2683
507 4O1M NAD 29.6748
508 1NNU NAD 30
509 1NNU TCT 30
510 3H4V DVP 30.8943
511 3H4V NAP 30.8943
512 5KKA 6V0 31.3008
513 5K4W NAI 32.1138
514 5K4W THR 32.1138
515 1Z6Z NAP 32.9268
516 3RJ5 NAD 33.3333
517 4J7U NAP 33.7398
518 4J7U YTZ 33.7398
519 1GZ6 NAI 36.1789
520 2WYV NAD 36.1789
521 2BD0 NAP 37.3984
522 3WXB NDP 37.8049
523 1ZBQ NAD 37.8049
524 3CH6 NAP 38.2114
525 3CH6 311 38.2114
526 1OAA OAA 38.6179
527 1XSE NDP 39.0244
528 4IXW IXW 39.4309
529 3HB5 NAP 39.8374
530 1A27 NAP 39.8374
531 4D42 W0I 39.8374
532 4D42 NAP 39.8374
533 4K26 SFF 40.2439
534 4K26 NDP 40.2439
535 3RKR NAP 41.0569
536 1FK8 NAD 43.9024
537 2GDZ NAD 44.3089
538 4FC7 NAP 44.3089
539 4FC7 COA 44.3089
540 1U7T TDT 44.7154
541 1U7T NAD 44.7154
542 1YXM ADE 44.7154
543 1QG6 NAD 45.122
544 1QG6 TCL 45.122
545 4OHU 2TK 45.5285
546 4OHU NAD 45.5285
547 3OJF IMJ 45.5285
548 3OJF NDP 45.5285
549 5CG1 NAD BBN 45.5285
550 5O42 9JW 45.935
551 5O42 NAD 45.935
552 5O42 BGC 45.935
553 1E3W NAD 45.935
554 1E6W NAD 45.935
555 1G0N PHH 46.3415
556 1G0N NDP 46.3415
557 3QWI CUE 46.3415
558 3QWI NAP 46.3415
559 3V1U NAD 46.3415
560 3VZS NAP 46.748
561 3VZS CAA 46.748
562 2B4Q NAP 47.1545
563 2PD4 NAD 47.1545
564 2PD4 DCN 47.1545
565 3OIG NAD 47.561
566 1HDC CBO 47.561
567 6CI9 NAP 47.9675
568 3ZV6 4HB 47.9675
569 3ZV6 NAD 47.9675
570 5I7S E9P 47.9675
571 5I7S NAD 47.9675
572 6CI9 F3V 47.9675
573 5OJI NAP 49.187
574 5OJI ISN 49.187
575 3BMN NAP 49.187
576 4CM9 NAP 49.187
577 4CM8 NAP 49.187
578 3JQ7 NAP 49.187
579 4CLR NAP 49.187
580 4CLO NAP 49.187
581 2WD7 NAP 49.187
582 4CME NAP 49.187
583 4CMI NAP 49.187
584 3JQ9 NAP 49.187
585 3JQB NAP 49.187
586 3JQG NAP 49.187
587 3BMO NAP 49.187
588 3JQF NAP 49.187
589 3JQA NAP 49.187
590 4CM4 NAP 49.187
591 3BMQ NAP 49.187
592 3JQ8 NAP 49.187
593 4CM9 YGL 49.187
594 4CMI M4V 49.187
595 4CME KTZ 49.187
596 4CM4 4NR 49.187
597 1GEG NAD 49.5935
598 5EJ2 NAD 49.5935
599 3OID NDP 49.5935
600 3OID TCL 49.5935
601 3D3W NAP 50
602 1PR9 NAP 50
Pocket No.: 2; Query (leader) PDB : 2AG5; Ligand: NAD; Similar sites found with APoc: 31
This union binding pocket(no: 2) in the query (biounit: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5DXA SFG 1.21951
2 1PBQ DK1 2.03252
3 5WKC F50 2.03252
4 4YCA NDP 2.03252
5 4RQU NAD 2.43902
6 2GLX NDP 2.43902
7 2YAB AMP 2.84553
8 4Z4P SAH 3.01205
9 2PZE ATP 3.49345
10 2GND MAN 3.65854
11 6DWI HD4 3.7037
12 3B5J 12D 3.7037
13 5XQL C2E 4.47154
14 4FBL SPD 4.87805
15 5Y02 MXN 5.60748
16 2VSS ACO 5.69106
17 1N2X SAM 5.69106
18 2ZJ1 NAD 5.69106
19 2ZJ1 ARJ 5.69106
20 4SGA ACE PRO ALA PRO PHE 6.07735
21 1SAY PYR 6.09756
22 2WW4 ADP 8.13008
23 3NJ4 NAD 8.13008
24 5HW4 SAM 8.53659
25 1LNX URI 8.64198
26 4Q6R SIN 8.94309
27 2HK9 NAP 8.94309
28 5TVI O8N 9.78261
29 5KSP GDP 10
30 5A7C 5D4 18.5841
31 3JQ8 DX3 49.187
Pocket No.: 3; Query (leader) PDB : 2AG5; Ligand: NAD; Similar sites found with APoc: 18
This union binding pocket(no: 3) in the query (biounit: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4C4A SAH 3.65854
2 5HRA DAS 3.65854
3 2PNC CLU 4.06504
4 3X01 AMP 4.06504
5 2WPF WPF 4.06504
6 2WPF FAD 4.06504
7 2IYF UDP 4.06504
8 3O94 NCA 4.2654
9 3H2B SAH 4.4335
10 4TO8 FLC 4.47154
11 1H82 FAD 4.47154
12 3A06 NDP 4.47154
13 1LUA NAP 5.28455
14 2VSU ACO 5.69106
15 3SSO SAH 6.09756
16 2PUZ NIG 7.31707
17 2XYQ SAH 10.6557
18 3JQB DX6 49.187
Pocket No.: 4; Query (leader) PDB : 2AG5; Ligand: NAD; Similar sites found with APoc: 7
This union binding pocket(no: 4) in the query (biounit: 2ag5.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5L1O 7PF 4.47154
2 2NSJ C2R 4.73373
3 5LXB 7A9 5.28455
4 5LV1 78T 5.69106
5 4C2C ALA ALA ALA 5.69106
6 1DNP MHF 9.34959
7 2PSJ CEI 17.4797
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