Receptor
PDB id Resolution Class Description Source Keywords
4MDH 2.5 Å EC: 1.1.1.37 REFINED CRYSTAL STRUCTURE OF CYTOPLASMIC MALATE DEHYDROGENASE AT 2.5-ANGSTROMS RESOLUTION SUS SCROFA OXIDOREDUCTASE(NAD(A)-CHOH(D))
Ref.: REFINED CRYSTAL STRUCTURE OF CYTOPLASMIC MALATE DEHYDROGENASE AT 2.5-A RESOLUTION. BIOCHEMISTRY V. 28 6065 1989
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:335;
B:335;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:334;
B:334;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MDH 2.5 Å EC: 1.1.1.37 REFINED CRYSTAL STRUCTURE OF CYTOPLASMIC MALATE DEHYDROGENASE AT 2.5-ANGSTROMS RESOLUTION SUS SCROFA OXIDOREDUCTASE(NAD(A)-CHOH(D))
Ref.: REFINED CRYSTAL STRUCTURE OF CYTOPLASMIC MALATE DEHYDROGENASE AT 2.5-A RESOLUTION. BIOCHEMISTRY V. 28 6065 1989
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4MDH - 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 6 families.
1 4MDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4MDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MDH; Ligand: NAD; Similar sites found: 583
This union binding pocket(no: 1) in the query (biounit: 4mdh.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GEE NAD 0.00157 0.40625 0.766284
2 1FK8 NAD 0.000154 0.44602 1.16732
3 1OC2 NAD 0.00003993 0.51074 1.1976
4 2Q1S NAI 0.00003577 0.50086 1.1976
5 2J8Z NAP 0.001723 0.41527 1.1976
6 4K5S PM0 0.0121 0.4014 1.1976
7 4K5S FAD 0.005316 0.4014 1.1976
8 5F7J ADE 0.04601 0.4009 1.25
9 1SAY PYR 0.00001346 0.50548 1.49701
10 1OBB NAD 0.000005066 0.497 1.49701
11 1ORR NAD 0.00006563 0.47672 1.49701
12 1GY8 NAD 0.00008207 0.46979 1.49701
13 3OJO NAD 0.0001093 0.44343 1.49701
14 1H82 GZZ 0.00888 0.41501 1.49701
15 1RYD NDP 0.003498 0.41323 1.49701
16 1H82 FAD 0.009925 0.41023 1.49701
17 2R4J 13P 0.01083 0.40573 1.49701
18 2R4J FAD 0.01083 0.40573 1.49701
19 4CJX NAP 0.0003838 0.44572 1.5674
20 3ORF NAD 0.00009626 0.4638 1.59363
21 5U5G NAP 0.0009349 0.41951 1.69492
22 1SB8 UD2 0.00002146 0.51906 1.79641
23 1SB8 NAD 0.00001852 0.51734 1.79641
24 1KEW NAD 0.00005263 0.50172 1.79641
25 1KEW TYD 0.00006141 0.49789 1.79641
26 2DFV NAD 0.00001841 0.48976 1.79641
27 5IN4 NAP 0.003984 0.46389 1.79641
28 5IN4 GDP 0.003809 0.46389 1.79641
29 5IN4 6CK 0.004247 0.46227 1.79641
30 4L8V NAP 0.000401 0.44135 1.79641
31 3CTY FAD 0.002424 0.42685 1.79641
32 3A06 FOM 0.001516 0.42664 1.79641
33 3A06 NDP 0.00136 0.42607 1.79641
34 3AB1 FAD 0.002853 0.42001 1.79641
35 3UCL NAP 0.009129 0.41825 1.79641
36 3UCL CYH 0.009004 0.41668 1.79641
37 3UCL FAD 0.009004 0.41668 1.79641
38 3IHG FAD 0.002571 0.41128 1.79641
39 1J0X NAD 0.000582 0.45127 1.80723
40 4ITU 1HS 0.001252 0.43663 1.85874
41 4ITU NAI 0.0007084 0.43596 1.85874
42 5UAV NDP 0.001211 0.43053 1.86335
43 5UAV TFB 0.001211 0.43053 1.86335
44 1IY8 NAD 0.0001775 0.45669 1.87266
45 1H5Q NAP 0.0002515 0.45077 1.88679
46 2EWM NAD 0.00004541 0.47984 2.00803
47 1LUA NAP 0.0005715 0.41126 2.09059
48 1V8B NAD 0.00005041 0.48567 2.09581
49 3ABI NAD 0.00007405 0.4699 2.09581
50 2GSD NAD 0.0002056 0.45995 2.09581
51 1MV8 NAD 0.0001513 0.45036 2.09581
52 1MUU NAD 0.0001367 0.44798 2.09581
53 4XB2 HSE 0.0003714 0.44561 2.09581
54 4XB2 NDP 0.0001063 0.44433 2.09581
55 4J1Q NDP 0.0007182 0.42844 2.09581
56 1BZL FAD 0.01134 0.42534 2.09581
57 1XHC FAD 0.002928 0.41521 2.09581
58 2RAB FAD 0.004942 0.41413 2.09581
59 2RAB NAD 0.01073 0.414 2.09581
60 1XDS SAM 0.0131 0.41092 2.09581
61 5EZ7 FAD 0.005047 0.40894 2.09581
62 1KNR FAD 0.005681 0.40786 2.09581
63 2WET FAD 0.007498 0.40392 2.09581
64 3QVP FAD 0.009498 0.40156 2.09581
65 4RPL 3UC 0.02304 0.40016 2.09581
66 3BAZ NAP 0.00006079 0.47767 2.1021
67 1CER NAD 0.0006032 0.43456 2.1148
68 4FC7 COA 0.001091 0.43906 2.16606
69 4FC7 NAP 0.001091 0.43906 2.16606
70 1WMA AB3 0.001786 0.43133 2.17391
71 1E7S NAP 0.0004189 0.44356 2.18069
72 1F06 2NP 0.003523 0.40967 2.1875
73 1F06 NDP 0.003523 0.40967 2.1875
74 2X6T NAP 0.00004174 0.47959 2.2409
75 3KO8 NAD 0.0000238 0.49247 2.24359
76 1VL8 NAP 0.000241 0.42128 2.24719
77 1HYH NAD 0.000000003676 0.63981 2.26537
78 3TN7 NJP 0.0005309 0.43808 2.33463
79 3VZS NAP 0.001472 0.43576 2.33463
80 2PV7 NAD 0.0001641 0.45315 2.34899
81 3RJ5 NAD 0.001795 0.42599 2.3622
82 4MP8 NAD 0.0002947 0.45633 2.39521
83 1DLJ NAI 0.0006761 0.45448 2.39521
84 3CIF NAD 0.0004107 0.4394 2.39521
85 5HJQ I3P 0.01317 0.43867 2.39521
86 1DLJ UGA 0.001636 0.43848 2.39521
87 3CIF G3H 0.0007221 0.43825 2.39521
88 5VKT NAP 0.0003485 0.43003 2.39521
89 3G5S FAD 0.001783 0.42498 2.39521
90 4AP3 NAP 0.009327 0.41343 2.39521
91 4JDR FAD 0.004497 0.41298 2.39521
92 1MO9 KPC 0.02323 0.4058 2.39521
93 3KLJ FAD 0.004291 0.40508 2.39521
94 1MO9 FAD 0.02522 0.40372 2.39521
95 5A07 GDP 0.02784 0.40208 2.39521
96 4EDF UPG 0.01125 0.40193 2.39521
97 2CFC NAD 0.0003504 0.44207 2.4
98 2DM6 NAP 0.0006654 0.44334 2.4024
99 2DM6 IMN 0.001833 0.42673 2.4024
100 2PK3 A2R 0.00001968 0.45204 2.49221
101 4NBT NAD 0.0003093 0.44416 2.5
102 3OA2 NAD 0.00002307 0.4799 2.51572
103 1JA9 NDP 0.004378 0.4035 2.55474
104 1DRV A3D 0.0005644 0.41449 2.5641
105 1EQ2 NAP 0.00005941 0.47362 2.58065
106 3WBF API 0.001252 0.4262 2.62295
107 3WBF NAP 0.00102 0.42409 2.62295
108 1VM6 NAD 0.00000902 0.49163 2.63158
109 1I36 NAP 0.001396 0.40396 2.65152
110 1ZEM NAD 0.00001712 0.48574 2.67176
111 1NFQ NAI 0.0001753 0.45842 2.69231
112 1LLU NAD 0.000004264 0.52525 2.69461
113 1R6D NAD 0.00002197 0.51967 2.69461
114 3JV7 NAD 0.000002596 0.50723 2.69461
115 1R6D DAU 0.00004353 0.50619 2.69461
116 1BXK NAD 0.00002613 0.48573 2.69461
117 1SC6 NAD 0.0001136 0.46581 2.69461
118 4BVA T3 0.0002393 0.46122 2.69461
119 2DBZ NAP 0.0001143 0.46091 2.69461
120 4BVA NDP 0.000152 0.45932 2.69461
121 4U7W NDP 0.0001475 0.45494 2.69461
122 1EK6 UPG 0.0008647 0.45435 2.69461
123 1O0S NAI 0.00006352 0.45314 2.69461
124 1Y1P NMN AMP PO4 0.0004199 0.45142 2.69461
125 1RKX NAD 0.0001212 0.44099 2.69461
126 3GGO ENO 0.001223 0.43599 2.69461
127 3GGO NAI 0.001223 0.43599 2.69461
128 1E3I CXF 0.00004355 0.43366 2.69461
129 4B7X NAP 0.001123 0.42807 2.69461
130 2I3G NAP 0.0004231 0.42309 2.69461
131 2ZXI FAD 0.002422 0.41964 2.69461
132 2AQJ FAD 0.007562 0.41665 2.69461
133 2AQJ TRP 0.007389 0.41638 2.69461
134 1ZH8 NAP 0.001645 0.41457 2.69461
135 3WGT QSC 0.007211 0.41078 2.69461
136 3WGT FAD 0.006889 0.41078 2.69461
137 4R5M 4NO 0.003995 0.40379 2.69461
138 4IV9 FAD 0.007536 0.40287 2.69461
139 4R5M NAP 0.003832 0.40181 2.69461
140 5TUK FAD 0.003654 0.4012 2.69461
141 1HDG NAD 0.0007175 0.43488 2.71084
142 4YCA NDP 0.001872 0.41527 2.72109
143 4ZA2 NAD 0.0006728 0.43109 2.7668
144 3JQ7 NAP 0.0003492 0.44051 2.77778
145 1C3V NDP 0.00001452 0.4992 2.85714
146 1XKQ NDP 0.002012 0.41807 2.85714
147 1XG5 NAP 0.0009717 0.42782 2.86738
148 4ZRN NAD 0.00001804 0.45158 2.88462
149 2RH4 EMO 0.0004038 0.45987 2.88809
150 5JE8 NAD 0.00003668 0.48642 2.98013
151 1W8D NAP 0.0004603 0.42354 2.98013
152 1W73 NAP 0.0005578 0.42042 2.98013
153 1W6U NAP 0.001287 0.40748 2.98013
154 2VZ0 NAP 0.0008371 0.4678 2.98507
155 2VZ0 D64 0.0008371 0.4678 2.98507
156 2WD7 NAP 0.0002647 0.44679 2.98507
157 4GLL NAD 0.00001649 0.49874 2.99401
158 1UDB NAD 0.0001322 0.48501 2.99401
159 1U8X NAD 0.0001635 0.4568 2.99401
160 3LST SAH 0.002452 0.44579 2.99401
161 1EBF NAD 0.000239 0.43554 2.99401
162 1YKF NAP 0.0006902 0.43217 2.99401
163 5FI3 NAP 0.0005205 0.42418 2.99401
164 1ZK7 FAD 0.004358 0.41729 2.99401
165 2YVF FAD 0.01003 0.41208 2.99401
166 1ZMD NAI 0.002706 0.41185 2.99401
167 1GET NAP 0.01285 0.41179 2.99401
168 1GET FAD 0.01207 0.41179 2.99401
169 4WAS NAP 0.003591 0.41166 2.99401
170 2YVF NAD 0.01068 0.41157 2.99401
171 4WAS COO 0.003728 0.41101 2.99401
172 3CGB FAD 0.004242 0.40987 2.99401
173 4ZNO SUC 0.02395 0.40899 2.99401
174 2F5Z FAD 0.008002 0.40462 2.99401
175 1N9G NAP 0.002061 0.40376 2.99401
176 4YNU FAD 0.009094 0.40322 2.99401
177 4YNU LGC 0.01237 0.40099 2.99401
178 4M52 FAD 0.009681 0.40032 2.99401
179 4IDC 1XX 0.001355 0.42485 3.01205
180 4IDC NDP 0.001355 0.42485 3.01205
181 2GCG NDP 0.00004261 0.47751 3.0303
182 1XHL NDP 0.001799 0.41869 3.0303
183 3H8V ATP 0.0001984 0.41019 3.08219
184 2DKN NAI 0.00008262 0.46637 3.13725
185 4FN4 NAD 0.0003314 0.44457 3.14961
186 1RP0 AHZ 0.003692 0.40641 3.16901
187 2G5C NAD 0.0003048 0.44599 3.20285
188 2YY7 NAD 0.0001603 0.45842 3.20513
189 5L95 AMP 0.0007152 0.45333 3.22581
190 1H2B NAJ 0.000007946 0.51289 3.29341
191 1PL6 572 0.00001489 0.50048 3.29341
192 1X7D ORN 0.00002378 0.50015 3.29341
193 1X7D NAD 0.00002436 0.48691 3.29341
194 1PL6 NAD 0.000005032 0.48224 3.29341
195 3TWO NDP 0.00006315 0.48035 3.29341
196 3SQP FAD 0.02779 0.42391 3.29341
197 1V59 FAD 0.004594 0.41634 3.29341
198 2V3A FAD 0.003147 0.41617 3.29341
199 1H6C NDP 0.003633 0.41257 3.29341
200 2VVM FAD 0.005508 0.40841 3.29341
201 2VVL FAD 0.006243 0.40717 3.29341
202 4DSG FAD 0.01645 0.40413 3.29341
203 1X87 NAD 0.001406 0.40338 3.29341
204 4CNK FAD 0.009267 0.40017 3.29341
205 2Q1W NAD 0.00009619 0.46866 3.3033
206 4K28 NAD 0.0001884 0.45806 3.34572
207 3AY6 NAI 0.001864 0.42421 3.34572
208 3AY6 BGC 0.005362 0.41697 3.34572
209 4TQG NDP 0.0002144 0.45033 3.40557
210 1OMO NAD 0.00004242 0.46331 3.41615
211 4KWI 1TJ 0.0003346 0.45889 3.42205
212 4KWI NAP 0.0003135 0.45889 3.42205
213 3O03 NAP 0.0001874 0.4472 3.43643
214 4CQM NAP 0.0002763 0.44764 3.44828
215 3H4V DVP 0.0002535 0.46494 3.47222
216 3H4V NAP 0.0007685 0.44421 3.47222
217 3OID NDP 0.0005781 0.43944 3.48837
218 3O26 NDP 0.001082 0.42457 3.53698
219 3SJ7 NDP 0.0001503 0.45631 3.57143
220 1BW9 NAD 0.0000186 0.51239 3.59281
221 5H81 NAP 0.00002854 0.50454 3.59281
222 2O4C NAD 0.00001523 0.49839 3.59281
223 1GR0 NAD 0.00002781 0.49299 3.59281
224 1C1X NAD 0.00002808 0.4868 3.59281
225 1BXG NAD 0.00003226 0.47621 3.59281
226 3MJE NDP 0.0003195 0.44519 3.59281
227 2B4R NAD 0.0004786 0.43984 3.59281
228 2B4R AES 0.0005022 0.43754 3.59281
229 2ZB3 NDP 0.0005691 0.43391 3.59281
230 2V6G NAP 0.0007683 0.43181 3.59281
231 1VJT NAD 0.0001048 0.42748 3.59281
232 4G74 FAD 0.001748 0.42416 3.59281
233 4G74 UQ5 0.003281 0.42416 3.59281
234 1E5Q NDP 0.001568 0.41685 3.59281
235 2Z3Y F2N 0.006503 0.40832 3.59281
236 4DPL NAP 0.001517 0.40754 3.59281
237 1QO8 FAD 0.00757 0.40469 3.59281
238 1CF2 NAP 0.002968 0.40244 3.59281
239 3NUG NAD 0.00007911 0.47041 3.64372
240 3A4V NAD 0.00002399 0.49855 3.78549
241 3A4V PYR 0.00002399 0.441 3.78549
242 4J7U NAP 0.002232 0.42637 3.81944
243 4J7U YTZ 0.002232 0.42637 3.81944
244 1XCL SAH 0.005248 0.4004 3.82979
245 2AE2 NAP 0.000886 0.4406 3.84615
246 1U1I NAD 0.00001337 0.50559 3.89222
247 2GZ3 NAP 0.00006771 0.49508 3.89222
248 5M67 3D1 0.0001256 0.48393 3.89222
249 5M67 ADE 0.00013 0.4833 3.89222
250 3OND ADN 0.0001259 0.48286 3.89222
251 3OND NAD 0.0001259 0.48286 3.89222
252 5M67 NAD 0.0001375 0.4823 3.89222
253 2GN4 UD1 0.001007 0.47612 3.89222
254 2GN4 NDP 0.001062 0.47364 3.89222
255 3ETG GTP 0.0008079 0.44646 3.89222
256 3ETG GLU 0.00175 0.43981 3.89222
257 2ZB4 5OP 0.001005 0.43614 3.89222
258 2ZB4 NAP 0.0009888 0.43525 3.89222
259 2B5W NAP 0.0001056 0.42647 3.89222
260 3L4S NAD 0.001254 0.42484 3.89222
261 3L4S 3PG 0.001355 0.42484 3.89222
262 5U8U FAD 0.006842 0.42183 3.89222
263 2BRY FAD 0.00206 0.41767 3.89222
264 3AXB FAD 0.003798 0.4118 3.89222
265 3AXB PRO 0.005451 0.41053 3.89222
266 3E1T FAD 0.007611 0.40551 3.89222
267 1DJN ADP 0.001487 0.40241 3.89222
268 1Z6Z NAP 0.001182 0.42307 3.90071
269 2PZM UDP 0.0001773 0.47241 3.93939
270 2PZM NAD 0.0001773 0.47241 3.93939
271 2HK9 NAP 0.000764 0.42447 4
272 1AE1 NAP 0.0008507 0.43283 4.0293
273 5THQ NDP 0.0002532 0.44912 4.04412
274 1HDR NAD 0.0001012 0.48783 4.09836
275 3RFV NAI 0.00002046 0.48799 4.11985
276 3RFV 15L 0.00004614 0.46963 4.11985
277 4RDH AMP 0.001783 0.44796 4.16667
278 2HMT NAI 0.001022 0.4055 4.16667
279 3O9Z NAD 0.0000498 0.4013 4.16667
280 5GT9 NAP 0.0004982 0.43916 4.18251
281 1RM0 D6P 0.00002013 0.51697 4.19162
282 1RM0 NAI 0.00003018 0.50627 4.19162
283 3GFB NAD 0.00001162 0.49746 4.19162
284 3NJ4 NAD 0.0007892 0.48505 4.19162
285 3NJ4 AFX 0.001076 0.47886 4.19162
286 2CDC XYP 0.0007144 0.46407 4.19162
287 2CDC NAP 0.0008923 0.45992 4.19162
288 2CDC XYS 0.0008923 0.45992 4.19162
289 3V1Y NAD 0.0003348 0.43719 4.19162
290 1UWK NAD 0.001688 0.43428 4.19162
291 1UWK URO 0.001688 0.43428 4.19162
292 3UOY NAP 0.008581 0.41882 4.19162
293 4C3Y FAD 0.00491 0.41142 4.19162
294 4EMI NAD 0.01095 0.41045 4.19162
295 1PGP 6PG 0.004879 0.40634 4.19162
296 1U7T TDT 0.00003836 0.49714 4.21456
297 1E3W NAD 0.00002595 0.48762 4.21456
298 1U7T NAD 0.0001479 0.45488 4.21456
299 3LZW NAP 0.005257 0.42268 4.21687
300 3LZW FAD 0.00217 0.42268 4.21687
301 1E6W NAD 0.00009985 0.44986 4.23077
302 4E13 NAD 0.0001168 0.43267 4.24028
303 5GZ6 NDP 0.0005558 0.45405 4.29448
304 5GZ6 7C3 0.0008287 0.4392 4.29448
305 2F1K NAP 0.0005659 0.42873 4.30108
306 3JYN NDP 0.003173 0.41026 4.30769
307 3ICC NAP 0.0003234 0.44797 4.31373
308 2WSB NAD 0.0001836 0.46831 4.33071
309 4D79 ATP 0.00085 0.45415 4.34783
310 4XZ3 COA 0.002799 0.4173 4.34783
311 4XYM COA 0.005694 0.4088 4.34783
312 1HDO NAP 0.004907 0.40396 4.36893
313 1KYQ NAD 0.0002392 0.40848 4.37956
314 1ZK4 NAP 0.001054 0.43294 4.38247
315 5DP2 NAP 0.00329 0.40295 4.38596
316 5L4S 6KX 0.00229 0.42062 4.40252
317 5L4S NAP 0.00229 0.42062 4.40252
318 2JAP NDP 0.0001775 0.43492 4.45344
319 2JAH NDP 0.001019 0.427 4.45344
320 5CAE COA 0.000183 0.46238 4.47284
321 5CAE SIN 0.0003803 0.41486 4.47284
322 5D4V SAH 0.0004869 0.41536 4.47761
323 1NVM NAD 0.00007931 0.47037 4.48718
324 1R37 NAD 0.000003553 0.52839 4.49102
325 1CDO NAD 0.00002051 0.48236 4.49102
326 2FZW NAD 0.0008635 0.44426 4.49102
327 3T31 DCQ 0.002206 0.43794 4.49102
328 3T31 FAD 0.002025 0.43794 4.49102
329 3WQQ IB3 0.001446 0.43305 4.49102
330 3WQQ NDP 0.001446 0.43305 4.49102
331 4KP7 NAP 0.003012 0.4257 4.49102
332 4KP7 1UQ 0.003232 0.42078 4.49102
333 5BUK FAD 0.01061 0.40046 4.49102
334 5MBX SP5 0.01565 0.40042 4.49102
335 5MBX FAD 0.01565 0.40042 4.49102
336 1PR9 NAP 0.0006571 0.43725 4.5082
337 5LX9 OLB 0.01696 0.40552 4.56026
338 1G0N NDP 0.0003919 0.4526 4.59364
339 1G0N PHH 0.0004937 0.45202 4.59364
340 3NGL NAP 0.0005849 0.41189 4.71014
341 2Q46 NAP 0.001015 0.42418 4.74308
342 1N7G GDR 0.001006 0.45157 4.79042
343 1N7G NDP 0.001974 0.44775 4.79042
344 3ZNN FAD 0.0109 0.4085 4.79042
345 3ZNN 4WL 0.0109 0.4085 4.79042
346 1PN0 IPH 0.009195 0.40638 4.79042
347 1PN0 FAD 0.008791 0.40638 4.79042
348 1E1M FAD 0.01107 0.40606 4.79042
349 1E1M NAP 0.01107 0.40606 4.79042
350 1K3T BRZ 0.004386 0.4047 4.79042
351 1E6E FAD 0.005778 0.4034 4.79042
352 3HAD NAD 0.0004826 0.45964 4.87013
353 3QV1 NAD 0.001103 0.41383 4.87805
354 1ZBQ NAD 0.000188 0.45722 4.89297
355 1O94 ADP 0.001843 0.40288 4.92424
356 4OSP NAP 0.000432 0.43855 4.94297
357 2EV9 NAP 0.001326 0.4239 4.94297
358 2EV9 SKM 0.001326 0.40236 4.94297
359 1LSS NAD 0.0002397 0.42081 5
360 1X1T NAD 0.002979 0.41134 5
361 2B4Q NAP 0.001014 0.42567 5.07246
362 4RQU NAD 0.000008078 0.50547 5.08982
363 4W6Z 8ID 0.00001852 0.50304 5.08982
364 1WVG APR 0.0001148 0.45022 5.08982
365 4FWE FAD 0.005454 0.41145 5.08982
366 1H9A NAP 0.003747 0.40861 5.08982
367 1N1G BCP 0.005155 0.40426 5.08982
368 4XYB NDP 0.0001001 0.43093 5.11509
369 1KOL NAD 0.0001041 0.47309 5.27638
370 1YJQ NAP 0.001222 0.42662 5.28053
371 1EDO NAP 0.0001732 0.45863 5.32787
372 2BKA NDP 0.001945 0.41323 5.3719
373 2ZAT NAP 0.002332 0.41158 5.38462
374 3H9E NAD 0.0002635 0.44126 5.38922
375 4R1S NAP 0.0003594 0.43618 5.38922
376 1WDK NAD 0.0002892 0.42916 5.38922
377 4OOE NDP 0.001294 0.41522 5.38922
378 3NYC FAD 0.0109 0.40485 5.38922
379 1OAA OAA 0.0007813 0.44604 5.40541
380 1GAD NAD 0.0004698 0.43165 5.45455
381 2GAG NAD 0.005617 0.40497 5.49223
382 2X3N FAD 0.005691 0.40474 5.51378
383 1N5D NDP 0.001474 0.42074 5.55556
384 1GZ6 NAI 0.0001892 0.43535 5.64263
385 3KB6 NAD 0.00004508 0.47477 5.68862
386 1YQD NAP 0.0001624 0.4612 5.68862
387 4PVD NDP 0.0004783 0.43181 5.68862
388 1YKJ FAD 0.004578 0.42802 5.68862
389 4D04 NAP 0.007942 0.41775 5.68862
390 4JBI NDP 0.003262 0.4086 5.68862
391 3U4C NDP 0.003388 0.40388 5.69395
392 3A28 NAD 0.00004188 0.46293 5.81395
393 3B1F NAD 0.0009747 0.4068 5.86207
394 5JCA FAD 0.007594 0.40464 5.98592
395 5JCA NDP 0.01569 0.40439 5.98592
396 1P0F NAP 0.0001089 0.46653 5.98802
397 5LD5 NAD 0.000313 0.45671 5.98802
398 1Q0H NDP 0.0008711 0.44805 5.98802
399 1Q0H FOM 0.0008017 0.4476 5.98802
400 3SSO SAH 0.000526 0.40764 5.98802
401 2GDZ NAD 0.0001387 0.45929 5.99251
402 2BD0 NAP 0.0005121 0.44013 6.14754
403 1Q7B NAP 0.001821 0.41576 6.14754
404 1UAY ADN 0.000102 0.40313 6.19835
405 3WLE NAD 0.000007318 0.51914 6.28743
406 1UP7 NAD 0.00001445 0.4849 6.28743
407 5KVS 6XR 0.003284 0.40967 6.28743
408 5KVS NAP 0.00135 0.4075 6.28743
409 1J5P NAD 0.000005768 0.50917 6.32411
410 4E5N NAD 0.00006814 0.47294 6.36364
411 4O0L NDP 0.0005019 0.43904 6.54545
412 4EIP K2C 0.009454 0.40424 6.55738
413 1GQ2 NAP 0.00001988 0.49033 6.58683
414 4PIV NDP 0.0007529 0.43215 6.58683
415 5MSO NAP 0.0004974 0.43061 6.58683
416 2VHW NAI 0.000004485 0.52763 6.6313
417 5ITV NAI 0.00006065 0.47492 6.66667
418 3ZV6 4HB 0.0005396 0.45155 6.76157
419 3ZV6 NAD 0.0005072 0.45155 6.76157
420 4NBU NAI 0.00004883 0.4786 6.8
421 2DTX BMA 0.00007104 0.48375 6.81818
422 4HXY NDP 0.00005788 0.47571 6.88623
423 1RSG FAD 0.006593 0.40715 6.88623
424 2Q7V FAD 0.007006 0.40513 7.07692
425 2DT5 NAD 0.00001724 0.49272 7.109
426 1U3U BNF 0.0000438 0.49605 7.18563
427 1YB5 NAP 0.00007904 0.47502 7.18563
428 1VKO NAD 0.00001505 0.46831 7.18563
429 2C29 NAP 0.0003393 0.46087 7.18563
430 2C29 DQH 0.000347 0.46047 7.18563
431 1GTE FAD 0.007348 0.41787 7.18563
432 1U3U NAD 0.0000438 0.40959 7.18563
433 2DC1 NAD 0.00001141 0.49776 7.20339
434 5T9E NAP 0.002252 0.40629 7.38007
435 2VT3 ATP 0.00001103 0.42709 7.44186
436 2C5A NAD 0.0001929 0.48004 7.48503
437 1YY5 FAD 0.007339 0.40706 7.48503
438 4BV6 FAD 0.007491 0.40394 7.48503
439 2CDU ADP 0.0003431 0.40145 7.48503
440 2CDU FAD 0.006748 0.4007 7.48503
441 1DXY NAD 0.000029 0.47797 7.50751
442 5OFW 9TW 0.01115 0.43355 7.62332
443 4Q3F TLA 0.02888 0.41304 7.69231
444 5T9F TYR 0.005021 0.40693 7.74908
445 5T9F NAP 0.004833 0.4065 7.74908
446 1D1T NAD 0.000006373 0.51495 7.78443
447 4J36 FAD 0.00124 0.42637 7.78443
448 4J36 1HR 0.002558 0.42494 7.78443
449 4JJF FE9 0.002942 0.40483 7.78443
450 4JJF N2I 0.003475 0.40483 7.78443
451 1J49 NAD 0.00003029 0.48324 7.80781
452 2VYN NAD 0.0005062 0.43588 7.85498
453 2RGJ FAD 0.002713 0.41294 8.08383
454 1YS4 NAP 0.0009896 0.4047 8.08383
455 1DSS NAD 0.0002401 0.43818 8.10811
456 1DIG NAP 0.001223 0.42527 8.16993
457 1DIG L37 0.001394 0.42436 8.16993
458 2GUC MAN 0.02652 0.4004 8.19672
459 1VL0 NAI 0.0002328 0.4397 8.21918
460 5E8J SAH 0.01585 0.40694 8.33333
461 1RPN NDP 0.00009418 0.43988 8.35821
462 3AD8 NAD 0.005563 0.4018 8.37438
463 2FR1 NDP 0.00004987 0.47986 8.38323
464 2WPF FAD 0.006829 0.43482 8.38323
465 2WPF WPF 0.007419 0.43456 8.38323
466 4OPC FDA 0.0273 0.40846 8.38323
467 4OPC PGT 0.03136 0.40846 8.38323
468 1D4D FAD 0.007421 0.40596 8.38323
469 4D3F NAP 0.0006098 0.41426 8.3871
470 1GEG NAD 0.0002773 0.44758 8.59375
471 2CUL FAD 0.001836 0.42213 8.62069
472 1Z45 NAD 0.00003958 0.48048 8.68263
473 1KEV NDP 0.0001136 0.46878 8.68263
474 2RGO FAD 0.003369 0.41389 8.68263
475 2E5V FAD 0.00491 0.41333 8.68263
476 5N53 8NB 0.01085 0.43387 8.71795
477 4XDA RIB 0.01784 0.41187 8.73786
478 1NYT NAP 0.001385 0.41126 8.85609
479 1HKU NAD 0.00001157 0.4792 8.98204
480 1REO FAD 0.006213 0.40528 8.98204
481 1XSE NDP 0.0009557 0.43927 9.15254
482 3WMX NAD 0.000312 0.4388 9.28144
483 3GD4 NAD 0.005344 0.43133 9.28144
484 3GD4 FAD 0.003442 0.43049 9.28144
485 3CGD COA 0.01713 0.41069 9.28144
486 3CGD NAD 0.01713 0.41069 9.28144
487 3CGD FAD 0.01713 0.41069 9.28144
488 5JCM ISD 0.01676 0.40501 9.28144
489 5JCM FAD 0.01623 0.40501 9.28144
490 5JCM NAD 0.01676 0.40501 9.28144
491 5K6A NAP 0.0001309 0.46027 9.375
492 4CM9 NAP 0.0001322 0.4601 9.375
493 3BMQ NAP 0.0001464 0.45838 9.375
494 3BMN NAP 0.000167 0.45615 9.375
495 3JQ8 NAP 0.0002058 0.45262 9.375
496 4CME NAP 0.0001257 0.45198 9.375
497 3JQ9 NAP 0.000226 0.45104 9.375
498 3JQF NAP 0.0001109 0.44859 9.375
499 4CLR NAP 0.0002798 0.44585 9.375
500 3BMO NAP 0.0002858 0.44549 9.375
501 3JQG NAP 0.0003194 0.442 9.375
502 3JQA NAP 0.0003361 0.44115 9.375
503 4CMI NAP 0.0002464 0.44089 9.375
504 5JDI NAP 0.0003866 0.44041 9.375
505 4CM8 NAP 0.0002711 0.43934 9.375
506 3JQB NAP 0.0003804 0.43908 9.375
507 4CLO NAP 0.0003934 0.43852 9.375
508 5JCJ NAP 0.0003331 0.43605 9.375
509 5JDC NAP 0.0003408 0.4357 9.375
510 4CM4 NAP 0.000356 0.43495 9.375
511 4J4H 1J1 0.0005283 0.45606 9.65251
512 4J4H NAI 0.0005283 0.45606 9.65251
513 4JK3 NAD 0.0001397 0.45201 9.65251
514 1WP4 NDP 0.0004208 0.43739 9.68858
515 2CVZ NDP 0.002005 0.40856 9.68858
516 5O4J 9KH 0.0004056 0.44689 9.85401
517 5O4J SAH 0.0004056 0.44689 9.85401
518 5O4J PJL 0.0003804 0.44662 9.85401
519 5DN9 NAD 0.00003341 0.48829 9.88024
520 1F8F NAD 0.00003419 0.47096 9.88024
521 2HQM FAD 0.009274 0.40108 9.88024
522 2BGM NAJ 0.0001161 0.45455 10.0719
523 4NBW NAD 0.00007596 0.46604 10.1167
524 3GEG NAD 0.00005926 0.47019 10.1215
525 3LU1 NAD 0.00002182 0.49055 10.1648
526 3CMC NAD 0.004543 0.43014 10.1796
527 2Q2V NAD 0.003008 0.41117 10.1961
528 2NU8 COA 0.0001512 0.4508 10.4167
529 2NAD NAD 0.0002512 0.45649 10.7784
530 1MXH DHF 0.0005902 0.44544 10.8696
531 1MXH NAP 0.000887 0.43832 10.8696
532 5AYV KPL 0.002748 0.41515 11.0032
533 1I2B NAD 0.00002985 0.51508 11.0778
534 1I2B USQ 0.01219 0.43185 11.0778
535 1I2B UPG 0.01219 0.43185 11.0778
536 4GUT FAD 0.009456 0.40423 11.2903
537 4GUS FAD 0.008888 0.40363 11.2903
538 4HSU FAD 0.009004 0.4034 11.2903
539 3V1U NAD 0.00011 0.45092 11.3772
540 1Q1R FAD 0.007462 0.40001 11.3772
541 5T2U NAP 0.001114 0.4282 11.6935
542 2V3B FAD 0.002843 0.41685 12.7273
543 3SJU NDP 0.001194 0.40568 13.2616
544 4K26 SFF 0.001011 0.43717 13.4058
545 4K26 NDP 0.0006769 0.43396 13.4058
546 1FEC FAD 0.003705 0.42109 13.7725
547 3LAD FAD 0.005845 0.40929 13.7725
548 3AFN NAP 0.001445 0.42375 13.9535
549 4ZGS NAD 0.00005568 0.45858 14.3713
550 1T26 NAI 0.0000000004239 0.70061 14.5963
551 1T26 GBD 0.0004262 0.52103 14.5963
552 2A92 NAI 0.000000005043 0.63676 14.9533
553 3CH6 311 0.002351 0.43973 15.3846
554 3CH6 NAP 0.002351 0.43973 15.3846
555 3D3W NAP 0.0006867 0.4365 15.5738
556 3B1J NAD 0.003468 0.40486 16
557 4GKV NAD 0.000006269 0.51862 16.0714
558 2QRK AMP 0.00005309 0.48753 16.1677
559 1PZG A3D 0.0000000007929 0.67961 16.3142
560 1SOW NAD 0.00000000009492 0.70452 16.4634
561 2AG5 NAD 0.0009723 0.42638 16.6667
562 4PLG NAI 0.0000000001351 0.71042 16.7665
563 4PLG OXM 0.0000025 0.58092 16.7665
564 3QWI CUE 0.003591 0.41696 17.037
565 3QWI NAP 0.002083 0.41618 17.037
566 1LTH NAD 0.000000006582 0.6037 17.8683
567 9LDB NAD 0.0000000001895 0.69015 20.7831
568 9LDT NAD 0.0000000002193 0.68768 20.7831
569 2HJR APR 0.000000001233 0.6193 23.4756
570 3VPH NAD 0.00000002226 0.61357 24.1935
571 3VPH OXM 0.00000007907 0.59578 24.1935
572 1V6A TRE 0.0007291 0.4957 24.6988
573 1LDN NAD 0.0000000004526 0.67537 25
574 3RNM FAD 0.007778 0.40513 29.3103
575 1EZ4 NAD 0.00000005941 0.57978 32.0755
576 1A5Z NAD 0.00000216 0.50158 32.9154
577 4PLT OXM 0.0000000003397 0.50004 32.9305
578 4PLT NAI 0.0000000004011 0.48976 32.9305
579 1LDM NAD 0.000000001403 0.65367 34.6505
580 1I0Z NAI 0.0000000001651 0.68983 34.8348
581 4ZVV GN0 0.00000003168 0.4367 37.0482
582 4ZVV NAD 0.00000003168 0.4367 37.0482
583 1HYE NAP 0.000000002855 0.60785 41.2141
Pocket No.: 2; Query (leader) PDB : 4MDH; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4mdh.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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