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Receptor
PDB id Resolution Class Description Source Keywords
1OIJ 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK, A NON-HEME FE (II) ALPHAKETOGLUTARATE DEPENDENT DIOXYGENASE IN COMPLEX W ITH ALPHAKETOGLUTARATE PSEUDOMONAS PUTIDA OXIDOREDUCTASE JELLY ROLL
Ref.: CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK: INSIGHTS INTO THE CATALYTIC MECHANISM OF THE FE(II) ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE SUPERFAMILY BIOCHEMISTRY V. 42 3075 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:1302;
B:1302;
C:1301;
D:1301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
NA A:1301;
B:1301;
C:1300;
D:1300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OIJ 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK, A NON-HEME FE (II) ALPHAKETOGLUTARATE DEPENDENT DIOXYGENASE IN COMPLEX W ITH ALPHAKETOGLUTARATE PSEUDOMONAS PUTIDA OXIDOREDUCTASE JELLY ROLL
Ref.: CRYSTAL STRUCTURE OF THE ALKYLSULFATASE ATSK: INSIGHTS INTO THE CATALYTIC MECHANISM OF THE FE(II) ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE SUPERFAMILY BIOCHEMISTRY V. 42 3075 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1OIJ - AKG C5 H6 O5 C(CC(=O)O)....
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 1OIJ - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1OIJ - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found with APoc: 149
This union binding pocket(no: 1) in the query (biounit: 1oij.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3PUA OGA 1.66113
2 3N1S 5GP 1.68067
3 4BXF AKG 1.99336
4 5ZM4 9FU 1.99336
5 5FP3 3JI 1.99336
6 5ZM4 AKG 1.99336
7 6F6D AKG 1.99336
8 3ZGJ RMN 1.99336
9 3UMV FAD 1.99336
10 3CY2 MB9 1.99336
11 4C5N ACP 2.17391
12 5IVE 6E8 2.32558
13 5UQD AKG 2.32558
14 3SLS ANP 2.32558
15 3TCT 3MI 2.3622
16 3H9A PPY 2.46914
17 3H7J PPY 2.46914
18 5YBN AKG 2.65781
19 3PUR 2HG 2.65781
20 3N9O OGA 2.65781
21 1XOC VAL ASP SER LYS ASN THR SER SER TRP 2.65781
22 3N9P OGA 2.65781
23 5UIU 8CG 2.65781
24 5OX6 A1Z 2.77778
25 3HQR OGA 2.84553
26 2IUW AKG 2.94118
27 1DRY AKG 2.99003
28 1DRY AAG 2.99003
29 2A1X AKG 2.99003
30 6FXR AKG 2.99003
31 4Y3O OGA 2.99003
32 4CCK OGA 2.99003
33 4Z87 5GP 2.99003
34 5A3T MMK 2.99003
35 4ZS4 ATP 2.99003
36 3W0O ADP 2.99003
37 3W0O HY0 2.99003
38 5F3I 5UJ 2.99003
39 4B2Z P5S 2.99003
40 4INI AMP 3.07692
41 6F4T OGA 3.13725
42 4JZR 4JR 3.24074
43 2XUM OGA 3.32226
44 6B9T 2HE 3.32226
45 5NCJ HL5 3.35821
46 5NCJ SIN 3.35821
47 5EZU MYR 3.37079
48 5MZY 8EZ 3.62903
49 5IQT 6CU 3.65448
50 1UNB AKG 3.65448
51 1UNB PN1 3.65448
52 2O7B HC4 3.65448
53 5IQT AKG 3.65448
54 2FFU UDP 3.65448
55 4J25 OGA 3.93013
56 1V1A KDG 3.98671
57 4LIT AKG 3.98671
58 6D6L FY4 4.11765
59 3RGA LSB 4.24028
60 5EPA AKG 4.30108
61 2FCU AKG 4.31894
62 1R27 MGD 4.31894
63 4XAC AKG 4.36508
64 2TPS TPS 4.40529
65 3FW9 SLX 4.44444
66 5YBL AKG 4.4586
67 3NNF AKG 4.65116
68 4IXH IMP 4.65116
69 1GQG DCD 4.65116
70 2RIO ADP 4.65116
71 3OPT AKG 4.65116
72 4NPL AKG 4.8
73 6F6J CUW 4.98339
74 6F6J SIN 4.98339
75 2D0V PQQ 4.98339
76 3SAO NKN 5
77 3W21 AKG 5.12821
78 5C5T AKG 5.26316
79 2WA4 069 5.31561
80 4B7E OGA 5.31561
81 5JWP AKG 5.31561
82 3P3N AKG 5.31561
83 2Y0I AKG 5.31561
84 4OCT AKG 5.40541
85 1ODM ASV 5.64784
86 4AU7 SAH 5.66802
87 5AHM IMP 5.75
88 6CGD AKN 5.98007
89 6CGD GNP 5.98007
90 5FWJ MMK 5.98007
91 5FPX GLY SER SER HIS HIS HIS HIS HIS 6.19469
92 3KV4 OGA 6.31229
93 3KV5 OGA 6.31229
94 3SCH TB6 6.56566
95 2R5V HHH 6.64452
96 1LSH PLD 6.64452
97 5LXT GTP 6.99301
98 5IXG OTP 7.10059
99 4BCS BTN 7.2
100 4Q0P 0MK 7.30769
101 1GP6 QUE 7.30897
102 1GP6 DH2 7.30897
103 1GP6 SIN 7.30897
104 3WW2 SF6 7.42188
105 3WW2 LPK 7.42188
106 5YW0 SIN 7.54717
107 5OMY 9YE 7.6412
108 5MY8 RXZ 7.6412
109 6FKW PQQ 7.6412
110 5M0T AKG 7.82313
111 4IE6 UN9 7.97342
112 5TFZ 7BC 8
113 2CM4 RCL 8
114 5V1B 8UY 8.33333
115 1NX4 AKG 8.42491
116 5O9W AKG 8.63787
117 2F2H XTG 8.63787
118 2PFC PLM 8.74317
119 4NG2 OHN 8.84956
120 5LUN ARG 8.9701
121 5LUN OGA 8.9701
122 4P7X AKG 9.58904
123 4P7X YCP 9.58904
124 6EXF LYS 9.96678
125 5FLJ QUE 10.2151
126 2ET1 GLV 10.4478
127 5I8T LAC 10.6145
128 5XM3 PQQ 11.1111
129 4CCN OGA 11.4286
130 5N0L ILE 11.9497
131 1ZOA 140 12.2924
132 5L9B AKG 12.6984
133 1HG4 LPP 13.2616
134 6FUL E7Z 13.9535
135 4UF0 MMK 14.2857
136 1H2M OGA 15.3846
137 4RFR RHN 15.7635
138 4IGQ OGA 16.9435
139 4IGQ THR M3L GLN 16.9435
140 5Z84 PSC 17.4312
141 1H2K OGA 19.5122
142 4CCO OGA 20
143 4BG1 OGA 21.2625
144 4BG1 IVL 21.2625
145 3AVR OGA 27.2727
146 4OJ8 AKG 31.2292
147 4OJ8 2TQ 31.2292
148 3N9Q OGA 35.2941
149 4QXB OGA 40
Pocket No.: 2; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found with APoc: 181
This union binding pocket(no: 2) in the query (biounit: 1oij.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3MTX PGT None
2 3LKJ LKJ None
3 1BYG STU 1.43885
4 3VHE 42Q 1.66113
5 4PNI KQQ 1.66113
6 3KC1 2T6 1.66113
7 2A1L PCW 1.85185
8 3UDZ ADP 1.99336
9 2YAB AMP 1.99336
10 5KR7 6X9 1.99336
11 5VCV 1N1 1.99336
12 2JBM SRT 2.00669
13 5XVG 8FX 2.04778
14 1J3R 6PG 2.10526
15 2GC0 PAN 2.12766
16 4C5N PXL 2.17391
17 1T27 PCW 2.21402
18 4IDT T28 2.32558
19 3E8N VRA 2.32558
20 3E8N ATP 2.32558
21 1OLM VTQ 2.32558
22 5LRT ADP 2.32558
23 3EBL GA4 2.32558
24 3ZDS HMQ 2.32558
25 4OMJ 2TX 2.51799
26 3PDT ADP 2.54545
27 5FBN 5WF 2.58303
28 5T8O 76Z 2.65781
29 3VRY B43 2.65781
30 3Q60 ATP 2.65781
31 4D5B ACX 2.65781
32 3TKI S25 2.65781
33 6C0T EE4 2.65781
34 5FP4 YC8 2.65781
35 5XFV FMN 2.65781
36 5YJS SAL 2.65781
37 2YGO PCF 2.65957
38 4N70 2HX 2.7439
39 2H8H H8H 2.99003
40 2X2M X2M 2.99003
41 3C1X CKK 2.99003
42 2GU8 796 2.99003
43 5LY2 OGA 2.99003
44 1U5R ATP 2.99003
45 6H8P OGA 2.99003
46 6CMJ F6J 2.99003
47 5FWE OGA 2.99003
48 2YBP 2HG 2.99003
49 4UTW RFW 3.05677
50 3DAK ANP 3.10345
51 4LA7 A1O 3.10881
52 1Y0G 8PP 3.14136
53 2YGN PCF 3.20513
54 3SRV S19 3.2491
55 6GIN IR2 3.32226
56 4X7Q 3YR 3.32226
57 4E93 GUI 3.32226
58 5MJA 7O3 3.32226
59 1J0D 5PA 3.32226
60 1NWW HPN 3.3557
61 1VFS DCS 3.36788
62 2YG2 S1P 3.48837
63 2YG2 FLC 3.48837
64 2D3M COA 3.65448
65 1YKD CMP 3.65448
66 4NKW PLO 3.65448
67 3RI1 3RH 3.65448
68 3ORK AGS 3.65448
69 1V0O INR 3.81944
70 5YSQ INS 3.84615
71 3A6T 8OG 3.87597
72 3T50 FMN 3.90625
73 1MH5 HAL 3.91304
74 6EZ6 C5Z 3.98671
75 3HMO STU 3.98671
76 4Y85 499 3.98671
77 1ZHX HC3 3.98671
78 6CQF F97 4.0404
79 1W6S PQQ 4.05405
80 3SXS PP2 4.10448
81 4QAC KK3 4.14747
82 3RGA ILD 4.24028
83 3B2Q ATP 4.31894
84 4GN8 ASO 4.34783
85 4RFM 3P6 4.51128
86 2CYE COA 4.51128
87 4ASE AV9 4.53258
88 5LXM ADP 4.59364
89 4QM9 CYS 4.62428
90 5MW8 ATP 4.65116
91 3EKK GS2 4.65116
92 5OO5 UUA 4.83871
93 1JJE BYS 4.95496
94 3ALN ANP 4.98339
95 4YZC STU 4.98339
96 2ZYI STE 4.98339
97 6AC9 ANP 4.98339
98 4EWN 0VR 5.13834
99 2A19 ANP 5.14286
100 2R40 20E 5.26316
101 1IR3 ANP 5.31561
102 4I94 ANP 5.33333
103 5I0U DCY 5.5
104 2GJ5 VD3 5.55556
105 3QWB NDP 5.64784
106 3EMY IVA VAL VAL STA ALA STA 5.64784
107 1DZK PRZ 5.73248
108 1QY1 PRZ 5.74713
109 2FR3 REA 5.83942
110 4Z28 BTN 5.97015
111 4U0I 0LI 5.98007
112 6FYL 3NG 5.98007
113 3DLS ADP 5.98007
114 5TBM 79A 5.98291
115 3M2W L8I 6.02007
116 4A4X JUP 6.09319
117 2QCS ANP 6.18557
118 1N1D C2G 6.20155
119 3LOO B4P 6.31229
120 4CYI ATP 6.31229
121 3E2M E2M 6.48649
122 4AZP A9M 6.52174
123 6E2O S0L 6.77966
124 5FM0 WAQ 6.92308
125 3GNI ATP 6.97674
126 3IES M24 6.97674
127 5HA0 LTD 7.05128
128 3DBX PLM 7.07071
129 2E27 AB0 7.14286
130 2WU6 DKI 7.30897
131 5KOD IAC 7.6412
132 5Y2W PGA 7.69231
133 4AU8 Z3R 7.77027
134 5XQW 8EU 7.8341
135 4BJ8 BTN 7.93651
136 5YF9 NIO 7.97342
137 5ICK FEZ 8.29694
138 5LGD PLM 8.30565
139 6AM8 PLT 8.30565
140 1CM8 ANP 8.30565
141 5YU3 PRO 8.30565
142 5YU3 NAD 8.30565
143 1PZL MYR 8.43882
144 2HKA C3S 8.46154
145 2B9H ADP 8.63787
146 2B9F ADP 8.63787
147 2B9J ADP 8.63787
148 2B9I ADP 8.63787
149 6G34 5ID 8.63787
150 3C0G 3AM 8.63787
151 3GGF GVD 8.63787
152 4WNP 3RJ 8.7108
153 3EW2 BTN 8.88889
154 3E7O 35F 8.9701
155 4H3P ANP 9.63455
156 5VC5 96M 10.0346
157 4ZU4 4TG 10.1351
158 1TQP ATP 10.2837
159 2BR6 HSL 10.3175
160 1WUB OTP 10.6742
161 5HQ0 LZ9 10.7143
162 6GU6 1QK 10.7143
163 4QYN RTL 11.2782
164 3FHI ANP 11.6883
165 2RHQ GAX 11.9048
166 4MNS 2AX 11.9497
167 4QTB 38Z 11.9601
168 2GOO NDG 12.2137
169 4MP8 NAD 12.2924
170 4MP8 MLI 12.2924
171 5EH0 5NW 12.4031
172 4QYS PLR 12.9568
173 2XK9 XK9 14.2857
174 6HDT BTN 14.2857
175 5ML3 DL3 15.4362
176 5FI4 5XV 16.2791
177 4J7H TLO 18.2724
178 4IJP 1EH 21.5947
179 3BU5 ATP 26.6667
180 2P5B OGA 27.2727
181 2Q8E OGA 37.5
Pocket No.: 3; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found with APoc: 24
This union binding pocket(no: 3) in the query (biounit: 1oij.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4B0T ADP 1.99336
2 1PZG A3D 1.99336
3 4XF6 ADP 2.65781
4 4XF6 INS 2.65781
5 4XF6 LIP 2.65781
6 6BXI ANP 2.99003
7 2YFT DQR 2.99003
8 5USZ SKE 3.46021
9 3G08 FEE 3.50877
10 2ZSH GA3 3.65448
11 1UXG NAD 3.8835
12 1UXG FUM 3.8835
13 6BFN DL1 3.98671
14 1M5W DXP 4.11523
15 1G72 PQQ 4.34783
16 4XYM A12 4.78261
17 2OBD PCW 5.64784
18 3T3Z 9PL 6.64452
19 6CAY ERG 8.28402
20 4LRJ ANP 8.28402
21 4WUP 3UF 8.84615
22 1LFO OLA 10.1562
23 5ZCO PSC 17.4312
24 1LRW PQQ 31.3253
Pocket No.: 4; Query (leader) PDB : 1OIJ; Ligand: AKG; Similar sites found with APoc: 20
This union binding pocket(no: 4) in the query (biounit: 1oij.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2PYW ADP 0.996678
2 5A89 ADP 2.5641
3 5A89 FMN 2.5641
4 3WQQ IB3 2.65781
5 3WQQ NDP 2.65781
6 3PNL ADP 2.8436
7 1E2K TMC 2.99003
8 5YFT RI2 3.65448
9 2Q2V NAD 3.92157
10 1URX AAL GAL AAL GLA 4.25532
11 5XJ8 NKO 4.47761
12 3TDV GDP 4.65116
13 1Y52 BTN 5.55556
14 1ZZ7 S0H 6.56566
15 2ZHL NAG GAL GAL NAG 6.75676
16 3VHH VHH 7.31707
17 1FFU CDP 9.40767
18 5WA9 9ZD 11.6279
19 4H2V AMP 14.6179
20 1OGZ EQU 21.6
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