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Receptor
PDB id Resolution Class Description Source Keywords
1HYE 1.9 Å EC: 1.1.1.27 CRYSTAL STRUCTURE OF THE MJ0490 GENE PRODUCT, THE FAMILY OF LACTATE/MALATE DEHYDROGENASE, DIMERIC STRUCTURE METHANOCALDOCOCCUS JANNASCHII NUCLEOTIDE BINDING DOMAIN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE MJ0490 GENE PRODUCT OF THE HYPERTHERMOPHILIC ARCHAEBACTERIUM METHANOCOCCUS JAN A NOVEL MEMBER OF THE LACTATE/MALATE FAMILY OF DEHYDROGENASES. J.MOL.BIOL. V. 307 1351 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:748;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HYE 1.9 Å EC: 1.1.1.27 CRYSTAL STRUCTURE OF THE MJ0490 GENE PRODUCT, THE FAMILY OF LACTATE/MALATE DEHYDROGENASE, DIMERIC STRUCTURE METHANOCALDOCOCCUS JANNASCHII NUCLEOTIDE BINDING DOMAIN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE MJ0490 GENE PRODUCT OF THE HYPERTHERMOPHILIC ARCHAEBACTERIUM METHANOCOCCUS JAN A NOVEL MEMBER OF THE LACTATE/MALATE FAMILY OF DEHYDROGENASES. J.MOL.BIOL. V. 307 1351 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1HYE - NAP C21 H28 N7 O17 P3 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 13 families.
1 1HYE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4PLT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 4PLY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
3 4PLW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 4PLV - 2OP C3 H6 O3 C[C@@H](C(....
5 4PLH - OXM C2 H3 N O3 C(=O)(C(=O....
6 2V7P - OXM C2 H3 N O3 C(=O)(C(=O....
7 3VPH - FBP C6 H14 O12 P2 C([C@@H]1[....
8 1V6A - TRE C12 H22 O11 C([C@@H]1[....
9 1U4S - BIH C10 H8 O6 S2 c1cc(cc2c1....
10 4PLZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 1T2D - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 1T25 ic50 = 1.1 uM GAG C4 H3 N O4 c1c(c(no1)....
13 1T26 ic50 = 0.14 uM GBD C3 H2 N2 O3 S c1(c(nsn1)....
14 2A94 - AP0 C22 H32 N6 O14 P2 CC(C1=CN(C....
15 1LDG - OXM C2 H3 N O3 C(=O)(C(=O....
16 1T2C - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 1U4O - NDD C12 H8 O4 c1cc(cc2c1....
18 1XIV - RB2 C10 H20 Cl N O5 COC(C1CC(C....
19 1T2E - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
20 1OC4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1A5Z - FBP C6 H14 O12 P2 C([C@@H]1[....
22 4ZVV ic50 = 0.003 uM GN0 C25 H23 Cl N2 O3 S2 c1ccc(c(c1....
23 4AJH Kd = 210 uM 2B4 C9 H7 Br O5 c1cc(ccc1O....
24 4RLS ic50 = 0.36 uM 49C C19 H15 Cl O3 S c1ccc2c(c1....
25 4QO8 Kd = 1.8 uM 36U C18 H13 Cl3 O2 S c1ccc(c(c1....
26 4AJ4 Kd = 130 uM VAB C14 H14 N2 O3 S2 C=CCSc1nc2....
27 4I8X Kd = 2300 uM 6P3 C12 H9 N O2 c1ccc(cc1)....
28 5W8L ic50 = 0.032 uM 9YA C30 H26 N4 O4 S2 c1ccc(cc1)....
29 4AJN Kd = 0.069 uM 88V C24 H26 N4 O6 S Cc1nc2ccc(....
30 4M49 Kd = 5 uM 22Y C19 H17 Cl N4 O2 C[C@H](c1c....
31 1I10 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
32 4I9N Kd = 360 uM 1E6 C18 H19 Cl N2 O7 S COc1cc(c(c....
33 4AJK Kd = 770 uM 88S C12 H14 N4 O2 S Cc1nc2ccc(....
34 5ES3 - OXM C2 H3 N O3 C(=O)(C(=O....
35 4AJ2 - MLI C3 H2 O4 C(C(=O)[O-....
36 4AJJ Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
37 4AL4 Kd = 0.13 uM W7E C24 H26 N4 O7 S Cc1nc2ccc(....
38 5IXS ic50 = 0.042 uM 6EY C21 H16 Cl N O3 S2 c1ccc(c(c1....
39 4AJI Kd = 280 uM 88R C12 H14 O6 COc1ccc(cc....
40 3H3F - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
41 4AJO Kd = 0.093 uM 88N C25 H27 N3 O6 S Cc1nc2ccc(....
42 4JNK Kd = 5.1 uM ZHK C20 H15 Cl2 N5 O4 S2 C[C@H](C(=....
43 4AJL Kd = 160 uM 88W C14 H18 N4 O2 S CCNC(=O)NC....
44 5NQB Ki = 27 mM MLI C3 H2 O4 C(C(=O)[O-....
45 5NQQ Ki = 2.3 mM OAA C4 H3 O5 C(C(=O)C(=....
46 4I9U Kd = 137 uM 1E7 C15 H13 Cl N2 O4 S COc1ccc(cc....
47 4AJ1 Kd = 770 uM AJ1 C10 H11 N3 O S CC(=O)Nc1c....
48 1HYE - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
49 1GUZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 4PLF - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 4PLG - OXM C2 H3 N O3 C(=O)(C(=O....
52 1LLD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 1LTH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 5ZI4 - OAA C4 H3 O5 C(C(=O)C(=....
55 5ZI2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1PZH - OXL C2 O4 C(=O)(C(=O....
57 1PZF - OXL C2 O4 C(=O)(C(=O....
58 1LDM - OXM C2 H3 N O3 C(=O)(C(=O....
59 1EZ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 6CEP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1I0Z - OXM C2 H3 N O3 C(=O)(C(=O....
62 1EMD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 1IB6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
64 5KKA Ki = 34 nM 6V0 C21 H29 N7 O14 P2 c1nc(c2c(n....
65 2CMD - CIT C6 H8 O7 C(C(=O)O)C....
66 1IE3 Ki = 56 mM PYR C3 H4 O3 CC(=O)C(=O....
67 1MLD - CIT C6 H8 O7 C(C(=O)O)C....
68 1UXK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
69 1UR5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 1GUY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
71 1UXI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
72 1UXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1O6Z - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HYE; Ligand: NAP; Similar sites found with APoc: 753
This union binding pocket(no: 1) in the query (biounit: 1hye.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2B4Q NAP None
2 2CUL FAD None
3 4D3F NAP 0.645161
4 5IN4 NAP 0.958466
5 5IN4 GDP 0.958466
6 5IN4 6CK 0.958466
7 1YB5 NAP 1.27796
8 2AG8 NAP 1.52091
9 2WSB NAD 1.5748
10 5L53 NAP 1.59744
11 2PZM NAD 1.59744
12 2PZM UDP 1.59744
13 3FPZ AHZ 1.59744
14 2IZ1 ATR 1.59744
15 5GZ6 7C3 1.59744
16 5GZ6 NDP 1.59744
17 3NKS FAD 1.59744
18 5U5G NAP 1.69492
19 5FEU NAP 1.71821
20 1WP4 NDP 1.7301
21 2CVZ NDP 1.7301
22 5O42 9JW 1.82482
23 5O42 BGC 1.82482
24 5O42 NAD 1.82482
25 3OA2 NAD 1.91693
26 3CIF NAD 1.91693
27 3CIF G3H 1.91693
28 1J0X NAD 1.91693
29 1GAD NAD 1.91693
30 1D1T NAD 1.91693
31 1C0I BE2 1.91693
32 1C0I FAD 1.91693
33 1VJT NAD 1.91693
34 5JCM ISD 1.91693
35 5JCM FAD 1.91693
36 5JCM NAD 1.91693
37 2Y6Q I7T 1.91693
38 2Y6Q FAD 1.91693
39 3S5W NAP 1.91693
40 3RC1 NAP 1.91693
41 3ZOK GLY 1.91693
42 1X1T NAD 1.92308
43 1Q9I TEO 1.92644
44 1Q9I FAD 1.92644
45 3OID NDP 1.93798
46 5FFF NAP 1.94553
47 5FFF 5XC 1.94553
48 4QED NAP 2.01613
49 3GEG NAD 2.02429
50 1PR9 NAP 2.04918
51 3D3W NAP 2.04918
52 1LUA NAP 2.09059
53 4D42 W0I 2.12766
54 4D42 NAP 2.12766
55 3NJ4 AFX 2.23642
56 3NJ4 NAD 2.23642
57 2I3G NAP 2.23642
58 1F8F NAD 2.23642
59 2FZW NAD 2.23642
60 4HXY NDP 2.23642
61 1H2B NAJ 2.23642
62 2JHF NAD 2.23642
63 2IXB A2G 2.23642
64 2IXB NAD 2.23642
65 1ZH8 NAP 2.23642
66 2Q1W NAD 2.23642
67 1H6C SIN 2.23642
68 1RYD NDP 2.23642
69 1H6C NDP 2.23642
70 1WPQ NAD 2.23642
71 3V1U NAD 2.23642
72 3GD4 NAD 2.23642
73 3GD4 FAD 2.23642
74 4ZRN NAD 2.24359
75 4ZRN UPG 2.24359
76 5CG1 NAD BBN 2.29508
77 2WYV NAD 2.29885
78 2AE2 PTO 2.30769
79 2AE2 NAP 2.30769
80 5OVL NAP 2.33333
81 1FK8 NAD 2.33463
82 5YSS NAD 2.34375
83 1LC3 NAD 2.38095
84 3H8V ATP 2.39726
85 5WUW NAP 2.43902
86 3SJU NDP 2.50896
87 4O0L NDP 2.54545
88 3OND ADN 2.55591
89 3OND NAD 2.55591
90 2O4C NAD 2.55591
91 3GGO ENO 2.55591
92 3GGO NAI 2.55591
93 4TQG NDP 2.55591
94 5UR0 NAD 2.55591
95 1RM0 NAI 2.55591
96 1RM0 D6P 2.55591
97 1Q19 SSC 2.55591
98 5WS9 OXL 2.55591
99 4J1Q NDP 2.55591
100 1ORR NAD 2.55591
101 3B1J NAD 2.55591
102 1GZ6 NAI 2.55591
103 1ZBQ NAD 2.55591
104 4PIV NDP 2.55591
105 2VYN NAD 2.55591
106 3B20 NAD 2.55591
107 2D2I NAP 2.55591
108 4EUE NAI 2.55591
109 4XAR 40F 2.55591
110 4RF2 NAP 2.57353
111 1DIG L37 2.61438
112 1DIG NAP 2.61438
113 3WLE NAD 2.6393
114 1W8D NAP 2.64901
115 1W73 NAP 2.64901
116 1W6U NAP 2.64901
117 2DTX BMA 2.65152
118 3THR C2F 2.73038
119 3AI8 HNQ 2.73438
120 3I7S PYR 2.73973
121 3ICC NAP 2.7451
122 1J5P NAD 2.7668
123 2G5C NAD 2.84698
124 3WXB NDP 2.86738
125 5TOW NAI 2.8754
126 5TOW ADN 2.8754
127 1X7D ORN 2.8754
128 1X7D NAD 2.8754
129 4XYB NDP 2.8754
130 3GFB NAD 2.8754
131 1SB8 UD2 2.8754
132 1SB8 NAD 2.8754
133 1DSS NAD 2.8754
134 1LJ8 NAD 2.8754
135 5ZEC NAP 2.8754
136 2YYY NAP 2.8754
137 1M2W NAD 2.8754
138 5DOZ NDP 2.8754
139 5YLF BGC 2.8754
140 1V59 FAD 2.8754
141 1K3T BRZ 2.8754
142 4W6Z 8ID 2.8754
143 2AQJ TRP 2.8754
144 2AQJ FAD 2.8754
145 2E5V FAD 2.8754
146 4A0S NAP 2.8754
147 2Q7V FAD 2.8754
148 1X87 NAD 2.8754
149 3LAD FAD 2.8754
150 4K5S PM0 2.8754
151 4K5S FAD 2.8754
152 3KO8 NAD 2.88462
153 3O26 NDP 2.89389
154 5XVH NAP 2.94118
155 4ITU 1HS 2.97398
156 4ITU NAI 2.97398
157 2PV7 NAD 3.02013
158 4YCA NDP 3.06122
159 4K6B GLU 3.10559
160 2JL1 NAP 3.13589
161 2Q46 NAP 3.16206
162 4E13 NAD 3.18021
163 2GZ3 NAP 3.19489
164 5XWV NDP 3.19489
165 2VHW NAI 3.19489
166 5AOV NAP 3.19489
167 5XWV 8H6 3.19489
168 1OMO NAD 3.19489
169 4RQU NAD 3.19489
170 5Y1G AKB 3.19489
171 5Y1G NAD 3.19489
172 5Z21 NAI 3.19489
173 1N1G BCP 3.19489
174 4XQC NAD 3.19489
175 4XQC 13D 3.19489
176 6A3J SOE 3.19489
177 1U8X NAD 3.19489
178 4WAS COO 3.19489
179 4R5M 4NO 3.19489
180 3HQP OXL 3.19489
181 6A3J NAI 3.19489
182 4R5M NAP 3.19489
183 1N9G NAP 3.19489
184 4JBI NDP 3.19489
185 5UAV NDP 3.19489
186 4FWE FAD 3.19489
187 5UAV TFB 3.19489
188 2ZXI FAD 3.19489
189 5FPE 3TR 3.19489
190 4WAS NAP 3.19489
191 5K0A FAD 3.19489
192 4URF NAD 3.22581
193 2DT5 NAD 3.31754
194 5Z2F NAP 3.39623
195 5OOH NAP 3.39806
196 5OOH 9ZZ 3.39806
197 2PK3 A2R 3.42679
198 3O03 NAP 3.43643
199 1QG6 NAD 3.44828
200 1QG6 TCL 3.44828
201 5OJI ISN 3.46154
202 5OJI NAP 3.46154
203 3OJF NDP 3.50195
204 3OJF IMJ 3.50195
205 5M67 ADE 3.51438
206 5M67 NAD 3.51438
207 5M67 3D1 3.51438
208 5MSO NAP 3.51438
209 1GQ2 NAP 3.51438
210 1OC2 TDX 3.51438
211 1OC2 NAD 3.51438
212 1KEW NAD 3.51438
213 1PL6 NAD 3.51438
214 1PL6 572 3.51438
215 1SAY PYR 3.51438
216 4Z0H NAD 3.51438
217 1KEW TYD 3.51438
218 5O9F 9ON 3.51438
219 5O9F NAD 3.51438
220 2C29 NAP 3.51438
221 2C29 DQH 3.51438
222 3V1Y NAD 3.51438
223 3WBF API 3.51438
224 3WBF NAP 3.51438
225 6C4T NA7 3.51438
226 6C4N NAP 3.51438
227 1TDF FAD 3.51438
228 4MIG G3F 3.51438
229 4TXI FAD 3.51438
230 2HQM FAD 3.51438
231 1L7E NAI 3.51438
232 2GMH FAD 3.51438
233 4BJZ P3A 3.51438
234 4BJZ FAD 3.51438
235 1GET FAD 3.51438
236 5NMX NAP 3.51438
237 5X20 NAD 3.52564
238 4FN4 NAD 3.54331
239 5GUD 2IT 3.60934
240 5GUD NDP 3.60934
241 1JA9 NDP 3.64964
242 5Z2L NDP 3.67347
243 1HDR NAD 3.68852
244 1VL8 NAP 3.74532
245 2GDZ NAD 3.74532
246 1JAY NAP 3.77358
247 3H4V DVP 3.81944
248 3H4V NAP 3.81944
249 6F3N NAD 3.83387
250 6F3N ADN 3.83387
251 6F3M NAD 3.83387
252 1GZ4 ATP 3.83387
253 2CDC XYP 3.83387
254 2CDC XYS 3.83387
255 5DF1 NAP 3.83387
256 5DF1 58X 3.83387
257 2CDC NAP 3.83387
258 6EL3 NAP 3.83387
259 6A0S HSE 3.83387
260 6A0S NDP 3.83387
261 1BXK NAD 3.83387
262 1NM5 NAD 3.83387
263 5WXU IAC 3.83387
264 3KLJ FAD 3.83387
265 2NPX NAD 3.83387
266 5U8U FAD 3.83387
267 2XVE FAD 3.83387
268 5ZZ6 NAD 3.84615
269 5B4T NAD 3.84615
270 5B4T 3HR 3.84615
271 5ZZ6 ADP 3.84615
272 3A28 NAD 3.87597
273 5U5N NAD 3.94265
274 1SC6 NAD 3.9604
275 5JE8 NAD 3.97351
276 2OOR NAD 4.02299
277 1AE1 NAP 4.0293
278 4GUS FAD 4.03226
279 4GUT FAD 4.03226
280 4HSU FAD 4.03226
281 6F9Q NAD 4.04412
282 1XSE NDP 4.0678
283 5F5N NAD 4.15225
284 2B5W NAP 4.15335
285 1WVG APR 4.15335
286 1PGP 6PG 4.15335
287 6BWL NAD 4.15335
288 5LD5 NAD 4.15335
289 5J5Z FAD 4.15335
290 1YKJ PHB 4.15335
291 1YKJ FAD 4.15335
292 2F5Z FAD 4.15335
293 5FBK TCR 4.15335
294 1TB4 PEJ 4.15335
295 6AIN FAD 4.15335
296 3CH6 NAP 4.1958
297 3CH6 311 4.1958
298 1YJQ NAP 4.29043
299 2F1K NAP 4.30108
300 5N2I NAP 4.31034
301 3PA8 621 4.33071
302 4FC7 NAP 4.33213
303 4FC7 COA 4.33213
304 1VI2 NAD 4.33333
305 4K26 SFF 4.34783
306 4K26 NDP 4.34783
307 4ZA2 NAD 4.34783
308 1VM6 NAD 4.38596
309 2QZZ EMF 4.40252
310 2QZZ NAP 4.40252
311 5EES NAP 4.45344
312 3ABI NAD 4.47284
313 1N7G NDP 4.47284
314 1N7G GDR 4.47284
315 3A4V PYR 4.47284
316 3A4V NAD 4.47284
317 5DN9 NAD 4.47284
318 5YU3 NAD 4.47284
319 5YU3 PRO 4.47284
320 1UDB NAD 4.47284
321 1UDB UFG 4.47284
322 5Z75 NAD 4.47284
323 3ICS ADP 4.47284
324 3ETG GLU 4.47284
325 3ETG NDP 4.47284
326 3ETG GTP 4.47284
327 3ICT ADP 4.47284
328 3QJ4 FAD 4.47284
329 1V35 NAI 4.47284
330 3CTY FAD 4.47284
331 2RAB FAD 4.47284
332 2RAB NAD 4.47284
333 3FWN ATR 4.47284
334 4TM3 FAD 4.47284
335 5YB7 FAD 4.47284
336 5YB7 ORN 4.47284
337 4ZCC FAD 4.47284
338 1NPD NAD 4.51389
339 3HAD NAD 4.54545
340 4CQM NAP 4.5977
341 6CI9 NAP 4.6332
342 3TN7 NJP 4.66926
343 3VZS NAP 4.66926
344 3VZS CAA 4.66926
345 1BDB NAD 4.69314
346 2PD4 NAD 4.72727
347 2PD4 DCN 4.72727
348 3ORF NAD 4.78088
349 1Q0H NDP 4.79233
350 1Q0H FOM 4.79233
351 3OJO NAD 4.79233
352 1KOL NAD 4.79233
353 3T31 DCQ 4.79233
354 3T31 FAD 4.79233
355 4MOP 2H5 4.79233
356 5ZYN FAD 4.79233
357 1MO9 KPC 4.79233
358 1MO9 FAD 4.79233
359 1Q1R FAD 4.79233
360 4YAG NAI 4.84429
361 2JAH NDP 4.8583
362 1UZN NAP 4.8583
363 5EJ2 NAD 4.87013
364 1C3V NDP 4.89796
365 1UAY ADN 4.95868
366 1E3W NAD 4.98084
367 1E6W NAD 5
368 1NFQ NAI 5
369 2AHR NAP 5.01931
370 4Q9N NAI 5.03356
371 4NBW NAD 5.05837
372 5NC1 NAG 5.06329
373 5I7S E9P 5.07246
374 5I7S NAD 5.07246
375 2DKN NAI 5.09804
376 2DBZ NAP 5.11182
377 1E7S NAP 5.11182
378 5L4S 6KX 5.11182
379 5L4S NAP 5.11182
380 1E3I CXF 5.11182
381 1Z45 NAD 5.11182
382 1I2B NAD 5.11182
383 1I2B USQ 5.11182
384 1I2B UPG 5.11182
385 2GCG NDP 5.11182
386 3LU1 NAD 5.11182
387 5A04 BGC 5.11182
388 5A04 NDP 5.11182
389 5TC4 NAD 5.11182
390 5KMS NAD 5.11182
391 4B7X NAP 5.11182
392 1EBF NAD 5.11182
393 3CGD FAD 5.11182
394 3CGD NAD 5.11182
395 3CGD COA 5.11182
396 2NVK NAP 5.11182
397 5W3K 9TY 5.11182
398 1RPN NDP 5.11182
399 4M00 SUC 5.11182
400 5W3K NDP 5.11182
401 5X68 FAD 5.11182
402 5GSN FAD 5.11182
403 5GSN NAP 5.11182
404 4M52 FAD 5.11182
405 3RJ5 NAD 5.11811
406 1FWV SGA MAG FUC 5.22388
407 5G4L NDP 5.24476
408 2AG5 NAD 5.28455
409 5EYY MDM 5.30612
410 4OSP NAP 5.32319
411 2BD0 NAP 5.32787
412 5N6C NAD 5.33333
413 4NBT NAD 5.41667
414 5Y8L NAD 5.42373
415 5Y8L HUI 5.42373
416 1CDO NAD 5.43131
417 5Z20 NAI 5.43131
418 4G5H NAP 5.43131
419 4G5H UD7 5.43131
420 4E5N NAD 5.43131
421 2CDU ADP 5.43131
422 4RF7 ARG 5.43131
423 3C1O NAP 5.43131
424 3WMX NAD 5.43131
425 5YAP NAI 5.43131
426 1PJS NAD 5.43131
427 5YAP 8S0 5.43131
428 5DP2 NAP 5.43131
429 1PS9 FAD 5.43131
430 2R4J 13P 5.43131
431 2R4J FAD 5.43131
432 5J60 FAD 5.43131
433 1EQ2 NAP 5.48387
434 4OHU NAD 5.53633
435 4OHU 2TK 5.53633
436 2VT3 ATP 5.5814
437 1YQD NAP 5.7377
438 2ZJ1 ARJ 5.7508
439 2ZJ1 NAD 5.7508
440 3BAZ NAP 5.7508
441 1P0F NAP 5.7508
442 5XWC 8GL 5.7508
443 5XWC 2IT 5.7508
444 5XWC NAP 5.7508
445 1F8G NAD 5.7508
446 6ER9 FAD 5.7508
447 5Y77 FAD 5.7508
448 5MZI FYK 5.7508
449 3LZW FAD 5.7508
450 3LZW NAP 5.7508
451 5MZI FAD 5.7508
452 2ZAT NAP 5.76923
453 1WMA NDP 5.7971
454 1WMA AB3 5.7971
455 4OM8 NAD 5.82524
456 3B1F NAD 5.86207
457 5T9F TYR 5.90406
458 5T9E NAP 5.90406
459 5T9F NAP 5.90406
460 3QWI CUE 5.92593
461 3QWI NAP 5.92593
462 3AY6 NAI 5.94796
463 3AY6 BGC 5.94796
464 1VKO NAD 5.95903
465 1VL1 CIT 6.03448
466 2GN4 NDP 6.07029
467 4BVA T3 6.07029
468 4BVA NDP 6.07029
469 2DFV NAD 6.07029
470 2GN4 UD1 6.07029
471 1YKF NAP 6.07029
472 1HDG NAD 6.07029
473 2Q1S NAI 6.07029
474 2X6T NAP 6.07029
475 2QRK AMP 6.07029
476 4UP3 NDP 6.07029
477 5UAO FAD 6.07029
478 2RGO FAD 6.07029
479 5BRT FAD 6.07029
480 5BRT CH9 6.07029
481 4KWI 1TJ 6.08365
482 4KWI NAP 6.08365
483 2EV9 SKM 6.08365
484 2EV9 NAP 6.08365
485 2YY7 NAD 6.08974
486 1NNU NAD 6.11354
487 1NNU TCT 6.11354
488 2BGM NAJ 6.11511
489 1U7T TDT 6.13027
490 1GEE NAD 6.13027
491 1U7T NAD 6.13027
492 5BSH PRO 6.13718
493 1HKU NAD 6.14525
494 1Q7B NAP 6.14754
495 3NGL NAP 6.15942
496 4J4H NAI 6.17761
497 4J4H 1J1 6.17761
498 4JK3 NAD 6.17761
499 2GAG NAD 6.19048
500 5X9D 80F 6.25
501 4IDC NDP 6.3253
502 4IDC 1XX 6.3253
503 1SNY NAP 6.36704
504 3A06 NDP 6.38978
505 3A06 FOM 6.38978
506 4DPL NAP 6.38978
507 1DLJ UGA 6.38978
508 1DLJ NAI 6.38978
509 1YS4 NAP 6.38978
510 3TWO NDP 6.38978
511 5BJX NAD 6.38978
512 5BJX UDP 6.38978
513 5VKT NAP 6.38978
514 4U7W NDP 6.38978
515 1U3U BNF 6.38978
516 1U3U NAD 6.38978
517 4MP8 MLI 6.38978
518 4MP8 NAD 6.38978
519 4GLL NAD 6.38978
520 1UWK NAD 6.38978
521 1UWK URO 6.38978
522 5TWB FAD 6.38978
523 4RSL FAD 6.38978
524 5WGR FAD 6.38978
525 4CP8 MLI 6.38978
526 1YQZ FAD 6.38978
527 4NBU NAI 6.4
528 1LSS NAD 6.42857
529 1I36 NAP 6.43939
530 2RH4 EMO 6.4982
531 1OAA OAA 6.56371
532 1N5D NDP 6.59722
533 2BKA NDP 6.61157
534 6BII NAP 6.70927
535 1R37 NAD 6.70927
536 3HB5 NAP 6.70927
537 5YEC ATP 6.72269
538 3RFV NAI 6.74157
539 3RFV 15L 6.74157
540 1H5Q NAP 6.79245
541 2EWM NAD 6.82731
542 5GWT SIN 6.83453
543 5GWT NAD 6.83453
544 3NUG NAD 6.88259
545 4Y9D NAI 6.88525
546 1EDO NAP 6.96721
547 1O0S NAI 7.02875
548 2B4R NAD 7.02875
549 2B4R AES 7.02875
550 5MW4 5JU 7.02875
551 2YVF FAD 7.02875
552 2YVF NAD 7.02875
553 5N0J FAD 7.02875
554 5BVA FAD 7.02875
555 5OVK NDP 7.03125
556 2Q2V NAD 7.05882
557 3ZV6 NAD 7.11744
558 3ZV6 4HB 7.11744
559 1XG5 NAP 7.16846
560 2DC1 NAD 7.20339
561 1ZEM NAD 7.25191
562 1A27 NAP 7.26644
563 2YVJ NAI 7.33945
564 3WV8 ATP 7.33945
565 2YVJ FAD 7.33945
566 4OOE FOM 7.34824
567 4OOE NDP 7.34824
568 1EK6 NAI 7.34824
569 1EK6 UPG 7.34824
570 1U1I NAD 7.34824
571 1H9A NAP 7.34824
572 2ZB3 NDP 7.36544
573 2HMT NAI 7.63889
574 5T2U NAP 7.66129
575 1R6D NAD 7.66773
576 3KB6 NAD 7.66773
577 5O98 NAP 7.66773
578 2FR1 NDP 7.66773
579 1R6D DAU 7.66773
580 4J36 1HR 7.66773
581 2BRY FAD 7.66773
582 6C4M NAP 7.66773
583 4J36 FAD 7.66773
584 5JWC FAD 7.66773
585 1O94 ADP 7.66773
586 1DJN ADP 7.66773
587 3QMN A3P 7.75194
588 5AYV NAP 7.76699
589 5AYV KPL 7.76699
590 4GKV NAD 7.98722
591 1C1X NAD 7.98722
592 1BXG NAD 7.98722
593 5CAE SIN 7.98722
594 5CAE COA 7.98722
595 1BW9 NAD 7.98722
596 2ZB4 5OP 7.98722
597 2ZB4 NAP 7.98722
598 2DM6 IMN 7.98722
599 4O1M NAD 7.98722
600 2DM6 NAP 7.98722
601 4L8F MTX 8.01282
602 1NVT NAP 8.01394
603 5MLR NAP 8.27251
604 5MLR GRQ 8.27251
605 1XHL NDP 8.30671
606 3L9W AMP 8.30671
607 5OJL TXP 8.38926
608 1KYQ NAD 8.39416
609 1IY8 NAD 8.61423
610 3CMC NAD 8.6262
611 1DRV A3D 8.79121
612 1XKQ NDP 8.92857
613 1LLU NAD 8.94569
614 3R75 PYR 8.94569
615 1WDK NAD 8.94569
616 5JAQ NAI 8.94569
617 4CNK FAD 8.94569
618 1J49 NAD 9.26518
619 3H9E NAD 9.26518
620 1KEV NDP 9.26518
621 5K4W THR 9.26518
622 5K4W NAI 9.26518
623 4YRY FAD 9.42029
624 5GT9 NAP 9.5057
625 1OBB NAD 9.58466
626 1CER NAD 9.58466
627 4CJX NAP 9.58466
628 1XHC FAD 9.58466
629 5WQP NCA 9.82906
630 5WQP NAP 9.82906
631 1V8B NAD 9.90415
632 4PVD NDP 9.90415
633 4L8V NAP 9.90415
634 1UP7 NAD 9.90415
635 3RKR NAP 9.92366
636 4XZ3 COA 10
637 2NU8 COA 10.0694
638 3AFN NAP 10.0775
639 3I6I NDP 10.2236
640 1F06 2NP 10.2236
641 1F06 NDP 10.2236
642 6GAS FAD 10.2719
643 2CFC NAD 10.4
644 4XYM COA 10.4348
645 1Z82 NDP 10.4478
646 4XJ7 ADE 10.4869
647 4ZGS NAD 10.5431
648 2G50 PYR 10.5431
649 1NYT NAP 10.7011
650 2V6G NAP 10.8626
651 1Y1P NMN AMP PO4 10.8626
652 2NAD NAD 11.1821
653 2C5A GDC 11.1821
654 2C5A NAD 11.1821
655 1FEC FAD 11.1821
656 1MXH DHF 11.2319
657 1MXH NAP 11.2319
658 3O94 NCA 11.3744
659 2GSD NAD 11.5016
660 1GR0 NAD 11.5016
661 4R1S NAP 11.5016
662 1E5Q NDP 11.5016
663 3L4S NAD 11.5016
664 3L4S 3PG 11.5016
665 1G0N NDP 11.6608
666 1G0N PHH 11.6608
667 4XB2 HSE 12.1406
668 4XB2 NDP 12.1406
669 1GY8 NAD 12.1406
670 2WET FAD 12.1406
671 3UCL NAP 12.1406
672 3QV1 NAD 12.1951
673 1ZK4 NAP 12.3506
674 1ZK4 AC0 12.3506
675 5H81 NAP 12.4601
676 1CF2 NAP 12.4601
677 5K6A NAP 12.5
678 3JQ7 NAP 12.5
679 5JDC NAP 12.5
680 3JQA NAP 12.5
681 4CMI NAP 12.5
682 4CM9 NAP 12.5
683 3BMQ NAP 12.5
684 3BMN NAP 12.5
685 5JDI NAP 12.5
686 5JCJ NAP 12.5
687 4CM8 NAP 12.5
688 4CM4 NAP 12.5
689 3JQ8 NAP 12.5
690 4CLR NAP 12.5
691 3BMO NAP 12.5
692 4CLO NAP 12.5
693 3JQB NAP 12.5
694 3JQ9 NAP 12.5
695 3JQG NAP 12.5
696 4CME NAP 12.5
697 3JQF NAP 12.5
698 1I7Q PYR 12.9534
699 5EIN NAP 12.963
700 1NVM NAD 13.141
701 2VZ0 NAP 13.4328
702 2VZ0 D64 13.4328
703 2WD7 NAP 13.4328
704 3U4C NDP 13.5231
705 3KV8 FAH 13.6691
706 1GEG NAD 13.6719
707 6AA8 NAD 13.738
708 1MV8 NAD 13.738
709 1MUU NAD 13.738
710 1MUU SUC 13.738
711 3RNM FAD 13.7931
712 1PTR PRB 14
713 4J56 FAD 14.0351
714 1P77 ATR 14.3382
715 5JY6 NAD 14.377
716 3OIG NAD 14.6617
717 1X14 NAD 14.6965
718 5OCM NAP 14.7766
719 5ODQ FAD 15
720 5L95 AMP 15
721 2HK9 NAP 15.016
722 2HK9 ATR 15.016
723 6DNT NAD 15.3355
724 2GLX NDP 15.3355
725 1BZL FAD 15.655
726 4KOA NDP 15.655
727 1VL0 NAI 16.0959
728 3O9Z NAD 16.6667
729 3O9Z AKG 16.6667
730 4YSX FAD 17.0213
731 4JDR FAD 17.2524
732 5THQ NDP 17.2794
733 4J7U YTZ 17.3611
734 4J7U NAP 17.3611
735 1Z6Z NAP 17.7305
736 5FI3 NAP 17.9272
737 3SJ7 NDP 18.6508
738 3WQQ NDP 18.8498
739 3WQQ IB3 18.8498
740 4KP7 NAP 18.8498
741 4KP7 1UQ 18.8498
742 1RKX NAD 18.8498
743 4EDF UPG 19.1693
744 1RP0 AHZ 21.831
745 1RM4 NDP 25.8786
746 2JAP NDP 29.9595
747 1B8U OAA 36.7412
748 1B8U NAD 36.7412
749 4MDH NAD 41.2141
750 5MDH NAD 41.2141
751 2CVQ NDP 41.2844
752 5NUE NAD 46.6454
753 5NUF NAD 46.6454
Pocket No.: 2; Query (leader) PDB : 1HYE; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1hye.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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