Receptor
PDB id Resolution Class Description Source Keywords
2WM1 2.01 Å EC: 4.1.1.45 THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA- CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN C OMPLEX WITH 1,3- DIHYDROXYACETONEPHOSPHATE SUGGESTS A RE GULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS HOMO SAPIENS NEUROLOGICAL DISORDERS METAL-DEPENDENT AMIDOHYDROLASE KYNURENINE PATHWAY ALTERNATIVE SPLICING QUINOLINIC ACID NAD BIOSYNTHESIS CEREBRAL MALARIA LYASE DECARBOXYLASE PICOLINIC ACID PHOSPHOPROTEIN
Ref.: THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA-CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN COMPLEX WITH 1,3-DIHYDROXYACETONEPHOSPHATE SUGGESTS A REGULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS FEBS J. V. 276 661
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
13P A:1334;
Valid;
none;
submit data
170.058 C3 H7 O6 P C(C(=...
GOL A:1335;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:1333;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WM1 2.01 Å EC: 4.1.1.45 THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA- CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN C OMPLEX WITH 1,3- DIHYDROXYACETONEPHOSPHATE SUGGESTS A RE GULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS HOMO SAPIENS NEUROLOGICAL DISORDERS METAL-DEPENDENT AMIDOHYDROLASE KYNURENINE PATHWAY ALTERNATIVE SPLICING QUINOLINIC ACID NAD BIOSYNTHESIS CEREBRAL MALARIA LYASE DECARBOXYLASE PICOLINIC ACID PHOSPHOPROTEIN
Ref.: THE CRYSTAL STRUCTURE OF HUMAN ALPHA-AMINO-BETA-CARBOXYMUCONATE-EPSILON-SEMIALDEHYDE DECARBOXYLASE IN COMPLEX WITH 1,3-DIHYDROXYACETONEPHOSPHATE SUGGESTS A REGULATORY LINK BETWEEN NAD SYNTHESIS AND GLYCOLYSIS FEBS J. V. 276 661
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WM1 - 13P C3 H7 O6 P C(C(=O)COP....
2 4IH3 - PDC C7 H5 N O4 c1cc(nc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 13P; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 13P 1 1
2 PGA 0.5 0.818182
3 HPV 0.4375 0.90625
4 PGH 0.424242 0.622222
5 IBS 0.404255 0.815789
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WM1; Ligand: 13P; Similar sites found: 174
This union binding pocket(no: 1) in the query (biounit: 2wm1.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XRH NIO 0.009584 0.40242 None
2 4B7E OGA 0.00007283 0.47684 0.892857
3 2Y0I AKG 0.00008122 0.47493 0.892857
4 2XUM OGA 0.0003588 0.45649 0.892857
5 1H2K OGA 0.0003761 0.45563 0.892857
6 3P3N AKG 0.0003939 0.45479 0.892857
7 2WA4 069 0.0005671 0.40609 0.892857
8 1SS4 GSH 0.00009295 0.55353 1.30719
9 2CW6 3HG 0.004694 0.43085 1.34228
10 1RZM E4P 0.001238 0.44131 1.4881
11 2WQP WQP 0.003159 0.43405 1.4881
12 2BLE 5GP 0.03963 0.41248 1.4881
13 1A59 CIT 0.002419 0.4286 1.78571
14 3MTW M3R 0.0009635 0.40537 1.78571
15 3BLI PYR 0.009434 0.40272 1.78571
16 4C6F DOR 0.001526 0.40154 1.78571
17 4C6F NCD 0.001526 0.40154 1.78571
18 3R51 MMA 0.001834 0.45029 1.875
19 3UDG TMP 0.018 0.40296 1.99336
20 2ZJ3 G6P 0.009168 0.40459 2.08333
21 1G0V NAG 0.0006299 0.50167 2.12766
22 2Q3M MLA 0.0009041 0.46491 2.14724
23 4USS GSH 0.001782 0.41458 2.15385
24 3CBG 4FE 0.003881 0.4437 2.15517
25 3CBG FER 0.01037 0.41443 2.15517
26 1WRA PC 0.00258 0.42737 2.27273
27 2FPU HSO 0.0002636 0.42001 2.27273
28 1KC7 PPR 0.001721 0.43506 2.38095
29 2YVF FAD 0.01427 0.43434 2.38095
30 2YVF NAD 0.01472 0.43434 2.38095
31 4M5P MLA 0.007946 0.42815 2.38095
32 4M5P 23W 0.01097 0.40622 2.38095
33 4ME6 ADP 0.005656 0.40035 2.38095
34 1OMZ UD2 0.02323 0.41336 2.38908
35 1P72 THM 0.000675 0.43104 2.39521
36 2Q8M AMP 0.0001123 0.42679 2.40964
37 3C1O NAP 0.01079 0.40814 2.49221
38 2C31 TZD 0.01439 0.44016 2.67857
39 2C31 ADP 0.01401 0.44016 2.67857
40 4M51 BEZ 0.002537 0.43524 2.67857
41 3ZGE ASP 0.004814 0.42255 2.67857
42 1H16 PYR 0.00529 0.42069 2.67857
43 3UBW 6SP 0.005716 0.42181 2.68199
44 2QLX RM4 0.005424 0.41325 2.77778
45 2YD6 FLC 0.00168 0.4891 2.83019
46 3CL7 HYN 0.002213 0.43752 2.92208
47 1O9U ADZ 0.00186 0.45 2.97619
48 4RJK PYR 0.006863 0.41553 2.97619
49 3HZL 6PC 0.01176 0.41182 2.97619
50 1Y42 TYR 0.002332 0.41002 2.97619
51 2PP3 LGT 0.0002689 0.40949 2.97619
52 3W54 RNB 0.0004533 0.4013 3.03951
53 1M1B SPV 0.00229 0.41626 3.05085
54 1E7S NAP 0.0006955 0.46987 3.11526
55 3MAG 3MA 0.0007522 0.47924 3.25733
56 1H9G COA MYR 0.01315 0.40733 3.29218
57 1V6A TRE 0.003606 0.40828 3.31325
58 3I51 45C 0.0004854 0.41195 3.33333
59 4B16 NAG 0.01282 0.41775 3.38346
60 3UEC ALA ARG TPO LYS 0.001517 0.43745 3.42466
61 3O03 GCO 0.001443 0.45525 3.43643
62 3TKA CTN 0.00051 0.52356 3.57143
63 3DG6 MUC 0.0003585 0.40705 3.57143
64 2XDQ MGX 0.01743 0.40363 3.57143
65 1I0Z OXM 0.00002609 0.53814 3.6036
66 1OIK AKG 0.004463 0.41048 3.65448
67 4LO6 SIA GAL 0.009623 0.4055 3.68421
68 2GDZ NAD 0.00366 0.43554 3.74532
69 1YOA FMN 0.04012 0.40021 3.77358
70 1Q11 TYE 0.002005 0.41258 3.86905
71 1HFA PIO 0.002403 0.41778 4.15225
72 3BY8 MLT 0.001738 0.43488 4.22535
73 2YIV YIV 0.002117 0.43883 4.26829
74 2YIV NBN 0.006231 0.41061 4.26829
75 5YAS FAC 0.001505 0.42332 4.28016
76 4JWX 1N4 0.003543 0.40293 4.28571
77 2WCV FUC 0.001304 0.40053 4.28571
78 4NAO AKG 0.003802 0.42001 4.29448
79 3L24 GOA 0.009301 0.41669 4.46429
80 1JAC AMG 0.0004334 0.49117 4.51128
81 3SCH TB6 0.007513 0.40096 4.54545
82 4C1K PEP 0.001879 0.41369 4.58015
83 1TO9 HMH 0.000474 0.42073 4.61538
84 1XHL NDP 0.00548 0.43043 4.7138
85 3CL5 SIO 0.004119 0.41849 4.7619
86 2EFJ SAH 0.003777 0.4167 4.7619
87 1NME 159 0.008854 0.41771 4.79452
88 2QCX PF1 0.001166 0.42813 4.94297
89 1YRX FMN 0.0003974 0.40823 4.95868
90 1WHT BZS 0.00366 0.41411 5.07812
91 3BHO B4P 0.01678 0.41187 5.28846
92 1XE7 GUN 0.003608 0.4363 5.41872
93 3F81 STT 0.00331 0.43808 5.46448
94 2VQ5 LDP 0.003899 0.4347 5.47264
95 2P69 PLP 0.00513 0.40207 5.55556
96 3QDW A2G 0.002039 0.4481 5.59441
97 3QDT A2G GAL 0.005493 0.41994 5.59441
98 3QDY A2G GAL 0.005551 0.41973 5.59441
99 3QDV A2G 0.0118 0.41175 5.59441
100 3QDV NDG 0.009794 0.40847 5.59441
101 3ZPG 5GP 0.0007561 0.4686 5.65476
102 4WBD ADP 0.003344 0.42245 5.65476
103 3BK2 U5P 0.0005127 0.40902 5.65476
104 3VPD BUA 0.003736 0.46096 5.69395
105 1H2M OGA 0.0002841 0.46075 5.76923
106 1T0S BML 0.00003859 0.518 5.81395
107 2Q8H TF4 0.003402 0.43752 6.25
108 4W6Z ETF 0.0109 0.4134 6.25
109 2J0W ASP 0.008239 0.4053 6.25
110 1QDS PGA 0.001458 0.40115 6.3745
111 2Y7P SAL 0.001155 0.42193 6.42202
112 2W8Q SIN 0.002182 0.43055 6.54762
113 4A6F SEP 0.00827 0.42728 6.66667
114 4FGC PQ0 0.004021 0.40636 6.66667
115 2H6B 3C4 0.0174 0.42688 6.8
116 2DTJ THR 0.001307 0.40159 6.84524
117 2XI7 XI7 0.0006283 0.49528 7.06522
118 1NU4 MLA 0.01248 0.41833 7.2165
119 1KHT AMP 0.001516 0.40965 7.29167
120 2V7T SAH 0.02479 0.43504 7.35786
121 1H8G CHT 0.03431 0.40384 7.36842
122 4DXJ 0M9 0.001022 0.43 7.44048
123 1Z42 HBA 0.01611 0.42793 7.44048
124 1Z44 NPO 0.01423 0.42411 7.44048
125 4DXJ IPE 0.004454 0.40189 7.44048
126 2V5E SCR 0.006143 0.43374 7.5
127 4F8L GAL 0.0167 0.42043 7.58621
128 4CCN OGA 0.002202 0.42339 7.7381
129 3WUD GLC GAL 0.01011 0.40784 8.08823
130 4GYW UDP 0.004536 0.43404 8.33333
131 4RNV HBA 0.03156 0.41591 8.33333
132 3W2W ATP 0.0007736 0.40154 8.33333
133 2X2T GAL NGA 0.001462 0.45498 8.49673
134 2OI2 DP6 0.0007 0.40058 8.56164
135 2ALG DAO 0.004279 0.40527 8.69565
136 3SBZ MLI 0.01812 0.40282 8.73016
137 4G1V FAD 0.001309 0.45207 9.02256
138 2BZ1 TAU 0.006369 0.44249 9.18367
139 4N02 FNR 0.02563 0.41754 9.22619
140 1PX8 XYP 0.005367 0.40128 9.22619
141 1YHM AHD 0.005748 0.40007 9.22619
142 1Y13 BIO 0.001048 0.40648 9.39227
143 3DX5 DHB 0.0006738 0.41144 9.44056
144 1NX4 AKG 0.003872 0.40702 9.52381
145 2VWT PYR 0.005692 0.41234 9.73783
146 1TDF FAD 0.006361 0.44184 9.81013
147 1TDF NAP 0.01724 0.43579 9.81013
148 2D37 NAD 0.01786 0.40288 10.7955
149 1Y1A GSH 0.00225 0.47326 10.929
150 1XX4 BAM 0.01424 0.40784 11.1111
151 3GM5 CIT 0.006203 0.40446 11.3208
152 1SOW OXL 0.01113 0.41296 11.5854
153 3SQG COM 0.01457 0.41495 11.6071
154 2Q37 3AL 0.002551 0.41436 12.1547
155 4R33 SAH 0.0005008 0.47753 12.2024
156 4R33 TRP 0.0005008 0.47753 12.2024
157 1FWE HAE 0.005549 0.42688 12.2642
158 1BTN I3P 0.01854 0.42083 12.2642
159 1R37 ETX 0.00182 0.42686 13.5447
160 1SC3 MLI 0.008488 0.41131 13.6364
161 1Y75 NAG 0.00168 0.40701 14.4068
162 1JGS SAL 0.002861 0.46075 14.4928
163 3QV9 QV7 0.005031 0.40241 14.5833
164 2HW1 FRU 0.002052 0.41819 17.1141
165 3IHB TRS 0.02553 0.44407 17.5595
166 3IHB GLU 0.008965 0.40369 17.5595
167 1N9L FMN 0.000171 0.40067 18.3486
168 2PR5 FMN 0.0001284 0.40144 20.4545
169 1TUV VK3 0.003666 0.43597 21.9298
170 3SJ0 DXC 0.006408 0.41008 22.5352
171 4CCO OGA 0.004182 0.40011 30
172 4LAM 5CU 0.000005179 0.56422 32.1429
173 1H8P PC 0.01363 0.40875 33.945
174 2DVX 23A 0.00003992 0.52804 34.2508
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