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Receptor
PDB id Resolution Class Description Source Keywords
4XCB 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HYGX FROM STREPTOMYCES HYGROSCOPICUS WI 2-OXOGLUTARATE, AND HYGROMYCIN B BOUND STREPTOMYCES HYGROSCOPICUS SUBSP. HYGROSCOPICUS OXIDOREDUCTASE DOUBLE STRANDED BETA HELIX
Ref.: OXIDATIVE CYCLIZATIONS IN ORTHOSOMYCIN BIOSYNTHESIS THE KNOWN CHEMISTRY OF AN OXYGENASE SUPERFAMILY. PROC.NATL.ACAD.SCI.USA V. 112 11547 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NI B:301;
A:301;
C:301;
D:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
58.693 Ni [Ni+2...
HY0 B:303;
C:303;
D:303;
A:303;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
527.52 C20 H37 N3 O13 CN[C@...
AKG C:302;
D:302;
A:302;
B:302;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XCB 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF HYGX FROM STREPTOMYCES HYGROSCOPICUS WI 2-OXOGLUTARATE, AND HYGROMYCIN B BOUND STREPTOMYCES HYGROSCOPICUS SUBSP. HYGROSCOPICUS OXIDOREDUCTASE DOUBLE STRANDED BETA HELIX
Ref.: OXIDATIVE CYCLIZATIONS IN ORTHOSOMYCIN BIOSYNTHESIS THE KNOWN CHEMISTRY OF AN OXYGENASE SUPERFAMILY. PROC.NATL.ACAD.SCI.USA V. 112 11547 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 4XCA - AKG C5 H6 O5 C(CC(=O)O)....
2 4ZPI - SIN C4 H6 O4 C(CC(=O)O)....
3 4XCB - HY0 C20 H37 N3 O13 CN[C@H]1C[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4XCA - AKG C5 H6 O5 C(CC(=O)O)....
2 4ZPI - SIN C4 H6 O4 C(CC(=O)O)....
3 4XCB - HY0 C20 H37 N3 O13 CN[C@H]1C[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 4XCA - AKG C5 H6 O5 C(CC(=O)O)....
2 4ZPI - SIN C4 H6 O4 C(CC(=O)O)....
3 4XCB - HY0 C20 H37 N3 O13 CN[C@H]1C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HY0; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HY0 1 1
Ligand no: 2; 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 : 4XCB; Ligand: HY0; Similar sites found with APoc: 180
This union binding pocket(no: 1) in the query (biounit: 4xcb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZU5 THM None
2 3ZW0 FUC None
3 1J3R 6PG None
4 3ZW2 NAG GAL FUC None
5 2FTB OLA None
6 4JH6 FCN None
7 3ZO7 K6H None
8 4CSD MFU 1.14943
9 3CBC DBS 1.51515
10 1ZM1 BGC BGC BGC 1.65975
11 5IVE 6E8 1.91571
12 1VRP ADP 1.91571
13 5T7I LAT NAG GAL 1.93548
14 5FLJ QUE 2.15054
15 1NX4 AKG 2.29885
16 3KV4 OGA 2.29885
17 4CCN OGA 2.29885
18 1I7M PUT 2.29885
19 4J36 1HR 2.29885
20 3HX3 RET 2.29885
21 1AF6 GLC FRU 2.29885
22 5JSP DQY 2.48756
23 5I0U DCY 2.5
24 2CM4 RCL 2.66667
25 3W21 AKG 2.68199
26 6F6J CUW 2.68199
27 6F6J SIN 2.68199
28 3GJB AKG 2.68199
29 3OPT AKG 2.68199
30 4MZU TYD 2.68199
31 4Q0P 0MK 2.69231
32 3WW2 SF6 2.73438
33 3WW2 LPK 2.73438
34 5L9V OGA 2.77778
35 5OX6 A1Z 2.77778
36 5L9B AKG 2.77778
37 3HQR OGA 2.84553
38 3H9A PPY 2.88066
39 3SCH TB6 3.0303
40 1ZZ7 S0H 3.0303
41 3NNF AKG 3.06513
42 1T27 PCW 3.06513
43 4BG1 IVL 3.06513
44 4BG1 OGA 3.06513
45 3WV6 GAL BGC 3.06513
46 5EO8 TFU 3.06513
47 4NPL AKG 3.2
48 4JZR 4JR 3.24074
49 4YLZ LAT NAG GAL 3.26797
50 4RFR RHN 3.44828
51 4OJ8 AKG 3.44828
52 1GP6 QUE 3.44828
53 1GP6 DH2 3.44828
54 1GP6 SIN 3.44828
55 4IGQ OGA 3.44828
56 4OJ8 2TQ 3.44828
57 3RGA LSB 3.44828
58 5VGS 9A7 3.44828
59 2VFT SOR 3.44828
60 4H6B 10X 3.58974
61 2Z77 HE7 3.59712
62 3M3E GAL A2G NPO 3.72671
63 4CCK OGA 3.83142
64 1OFZ FUC 3.83142
65 4CCO OGA 3.83142
66 4Y3O OGA 3.83142
67 4WOE ADP 3.83142
68 3RWP ABQ 3.83142
69 5NW7 9C2 3.83142
70 2HKA C3S 3.84615
71 3N0Y APC 3.91061
72 4ZU4 4TG 4.05405
73 4ZSI GLP 4.09357
74 3H7J PPY 4.11523
75 5O9W AKG 4.21456
76 2GQR ADP 4.21941
77 2GQS ADP 4.21941
78 2AGC MYR 4.32099
79 2D6M LBT 4.40252
80 3WG3 A2G GAL NAG FUC 4.49438
81 4OCT AKG 4.5045
82 5H9Q TD2 4.51613
83 1P0Z FLC 4.58015
84 3PUA OGA 4.5977
85 3N9P OGA 4.5977
86 3N9Q OGA 4.5977
87 5GLT BGC GAL NAG GAL 4.5977
88 3KVY URA 4.5977
89 3PUR 2HG 4.5977
90 3B00 16A 4.5977
91 4J25 OGA 4.80349
92 5LUN OGA 5.36398
93 1UNB AKG 5.36398
94 5YBL AKG 5.36398
95 6EXF LYS 5.36398
96 1UNB PN1 5.36398
97 4IE6 UN9 5.36398
98 5LUN ARG 5.36398
99 5V1B 8UY 5.41667
100 4L4J NAG NAG BMA MAN NAG 5.42986
101 1LRH NLA 5.52147
102 4XAC AKG 5.55556
103 4UCF GLA 5.74713
104 2WA4 069 6.13027
105 3P3N AKG 6.13027
106 2XUM OGA 6.13027
107 4B7E OGA 6.13027
108 2Y0I AKG 6.13027
109 5KJW 53C 6.13027
110 5NEA 8V8 6.15385
111 5LXB 7A9 6.19835
112 2VQ5 HBA 6.46766
113 2FCU AKG 6.51341
114 5ZM4 9FU 6.51341
115 5TPV TYD 6.53595
116 1ULE GLA GAL NAG 6.66667
117 3G5N PB2 6.89655
118 5FWE OGA 6.89655
119 5LY2 OGA 6.89655
120 4LIT AKG 7.27969
121 6E08 NAP 7.27969
122 3O2K DST 7.66284
123 5M0T AKG 7.66284
124 2ET1 GLV 7.9602
125 5FPX GLY SER SER HIS HIS HIS HIS HIS 7.9646
126 5IQT AKG 8.04598
127 5IQT 6CU 8.04598
128 5YW0 SIN 8.1761
129 1GZW GAL BGC 8.20895
130 1W6P NDG GAL 8.20895
131 1W6O LAT 8.20895
132 5I8T LAC 8.37989
133 6FXR AKG 8.42912
134 2A1X AKG 8.42912
135 5X7Q GLC GLC GLC GLC GLC 8.42912
136 5X7Q GLC GLC GLC GLC 8.42912
137 3ILR SGN IXD 8.42912
138 3MPB FRU 8.53659
139 3E2M E2M 8.64865
140 1DRY AKG 8.81226
141 1DRY AAG 8.81226
142 1OS7 AKG 9.1954
143 5FWJ MMK 9.1954
144 2HZQ STR 9.1954
145 1OS7 TAU 9.1954
146 2PA7 TYD 9.21986
147 3VV1 GAL FUC 9.375
148 1H2M OGA 9.61539
149 2IUW AKG 9.66387
150 4MNS 2AX 10.0629
151 4BXF AKG 10.3448
152 5KEW 6SB 10.4167
153 5TFZ 7BC 10.6667
154 3VQ2 LP4 LP5 MYR DAO 10.728
155 4QXB OGA 11.7647
156 1TW4 CHD 12
157 1H2K OGA 12.1951
158 1ODM ASV 12.2605
159 4QCK ASD 12.6437
160 3BXO UPP 13.8075
161 3AVR OGA 15.3257
162 4P7X YCP 15.3257
163 4P7X AKG 15.3257
164 6FUL E7Z 15.3257
165 4UF0 MMK 15.3257
166 4RYV ZEA 15.4839
167 6F6D AKG 16.4751
168 5FP3 3JI 16.4751
169 3E85 BSU 17.0886
170 5EPA AKG 17.2414
171 1DZK PRZ 19.1083
172 5C5T AKG 20.614
173 5JWP AKG 21.0526
174 2GC0 PAN 21.8085
175 4OPC PGT 24.1379
176 5EQU AKG 31.8008
177 5YBN AKG 34.4828
178 5NCJ SIN 37.5479
179 5NCJ HL5 37.5479
180 3N9O OGA 41.1765
Pocket No.: 2; Query (leader) PDB : 4XCB; Ligand: HY0; Similar sites found with APoc: 26
This union binding pocket(no: 2) in the query (biounit: 4xcb.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6F7X MFU None
2 2BS5 BGC GAL FUC None
3 4IAW LIZ 1.59574
4 5A3T MMK 1.91571
5 2OVD DAO 2.1978
6 5MOB A8S 3.44828
7 4QM9 CYS 3.46821
8 5UQD AKG 3.83142
9 2E56 MYR 4.16667
10 5DG2 GAL GLC 4.44444
11 6FU4 HSM 4.5977
12 6GNO XDI 5.18518
13 1QIN GIP 5.46448
14 6F4T OGA 6.27451
15 5F3I 5UJ 6.89655
16 5K21 6QF 7.0922
17 5A6B OAN 7.27969
18 2YG2 S1P 8.13953
19 1OGX EQU 9.16031
20 3FW4 CAQ 9.55056
21 3KV5 OGA 9.57854
22 4MLO PAM 10.728
23 2QL9 CIT 11.3402
24 3A76 SPD 11.9318
25 5NBP BGC BGC BGC 14.5594
26 4OPC FDA 24.1379
Pocket No.: 3; Query (leader) PDB : 4XCB; Ligand: AKG; Similar sites found with APoc: 289
This union binding pocket(no: 3) in the query (biounit: 4xcb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2FTB OLA None
2 3ZW2 NAG GAL FUC None
3 3ZW0 FUC None
4 6F7X MFU None
5 1J3R 6PG None
6 3ZO7 K6H None
7 3TCT 3MI None
8 4TW7 37K None
9 1KGI T4A None
10 5BU3 4W9 1.08696
11 4CSD MFU 1.14943
12 1Y52 BTN 1.5873
13 1ERB ETR 1.63934
14 5IVE 6E8 1.91571
15 5A3T MMK 1.91571
16 1VRP ADP 1.91571
17 5DEY 59T 1.91571
18 5FLJ QUE 2.15054
19 1NX4 AKG 2.29885
20 4MP8 NAD 2.29885
21 4MP8 MLI 2.29885
22 3HX3 RET 2.29885
23 5FP4 YC8 2.29885
24 4J36 1HR 2.29885
25 4J36 FAD 2.29885
26 3KV4 OGA 2.29885
27 1I7M PUT 2.29885
28 5IH9 6BF 2.29885
29 4CCN OGA 2.29885
30 3QVV 3QV 2.29885
31 5XNC MTA 2.29885
32 4IJP 1EH 2.29885
33 2XN5 FUN 2.29885
34 4QAC KK3 2.30415
35 6BYM HC3 2.46305
36 5I0U DCY 2.5
37 2CM4 RCL 2.66667
38 3W21 AKG 2.68199
39 3GJB AKG 2.68199
40 3Q8G PEE 2.68199
41 1O6U PLM 2.68199
42 5KD6 6C7 2.68199
43 6F6J CUW 2.68199
44 4IX4 ADP 2.68199
45 4ZL4 4PK 2.68199
46 6F6J SIN 2.68199
47 4BVA T3 2.68199
48 3OPT AKG 2.68199
49 5ML3 DL3 2.68456
50 3WW2 SF6 2.73438
51 3WW2 LPK 2.73438
52 2X34 UQ8 2.76243
53 5OX6 A1Z 2.77778
54 5L9B AKG 2.77778
55 5L9V OGA 2.77778
56 2X32 OTP 2.7933
57 3HQR OGA 2.84553
58 4BG1 IVL 3.06513
59 4BG1 OGA 3.06513
60 3NNF AKG 3.06513
61 1T27 PCW 3.06513
62 1M15 ARG 3.06513
63 1M15 ADP 3.06513
64 4BG4 ADP 3.06513
65 5EO8 TFU 3.06513
66 6B9T 2HE 3.06513
67 4NPL AKG 3.2
68 4JZR 4JR 3.24074
69 1GP6 SIN 3.44828
70 1GP6 DH2 3.44828
71 1GP6 QUE 3.44828
72 4OJ8 2TQ 3.44828
73 4RFR RHN 3.44828
74 1GQG DCD 3.44828
75 4IGQ OGA 3.44828
76 4IGQ THR M3L GLN 3.44828
77 3E8N VRA 3.44828
78 3E8N ATP 3.44828
79 4OJ8 AKG 3.44828
80 4FHD 0TT 3.44828
81 4FHD EEM 3.44828
82 2ZYI STE 3.44828
83 6C1S EFV 3.44828
84 5WKC TP9 3.44828
85 2H8H H8H 3.44828
86 2Z77 HE7 3.59712
87 2AG4 OLA 3.65854
88 2AG4 LP3 3.65854
89 3EW2 BTN 3.7037
90 1MDC PLM 3.78788
91 4CCK OGA 3.83142
92 1G9J BGC SGC BGC SGC BGC SGC BGC SGC 3.83142
93 1OFZ FUC 3.83142
94 4GCZ FMN 3.83142
95 4WOE ADP 3.83142
96 4CCO OGA 3.83142
97 5Z46 GST 3.83142
98 2Q7D ANP 3.83142
99 4Y3O OGA 3.83142
100 3LVW GSH 3.83142
101 5UQD AKG 3.83142
102 2HKA C3S 3.84615
103 3N0Y APC 3.91061
104 2C1Q BTN 3.96825
105 4ZU4 4TG 4.05405
106 4WUJ FMN 4.08163
107 4ZSI GLP 4.09357
108 3H7J PPY 4.11523
109 2E56 MYR 4.16667
110 5O9W AKG 4.21456
111 3PFG TLO 4.21456
112 3PFG SAM 4.21456
113 3B6R ADP 4.21456
114 3UN3 G16 4.21456
115 4D52 GXL 4.21456
116 4AZW ATP 4.21456
117 6CGD GNP 4.21456
118 2GQS ADP 4.21941
119 2GQS C2R 4.21941
120 2GQR ADP 4.21941
121 4FE2 AIR 4.31373
122 4GGZ BTN 4.34783
123 4OCT AKG 4.5045
124 4QYN RTL 4.51128
125 2PR5 FMN 4.54545
126 3PUA OGA 4.5977
127 3N9P OGA 4.5977
128 3N9Q OGA 4.5977
129 3B00 16A 4.5977
130 5GLT BGC GAL NAG GAL 4.5977
131 3PUR 2HG 4.5977
132 5FBN 5WF 4.5977
133 1EB9 HBA 4.5977
134 4BJ8 BTN 4.7619
135 4J25 OGA 4.80349
136 4WW7 AMP 4.81283
137 6GG9 FMN 4.93827
138 2XMY CDK 4.98084
139 4NV7 COA 4.98084
140 5JZJ AN2 4.98084
141 2FXD DR7 5.05051
142 4M8X KGQ 5.05051
143 4NJS G08 5.05051
144 4NJH SAM 5.21739
145 4NJH 2K8 5.21739
146 3MTX PGT 5.29801
147 2NNQ T4B 5.34351
148 4IE6 UN9 5.36398
149 5LUN OGA 5.36398
150 5LUN ARG 5.36398
151 1UNB AKG 5.36398
152 5M67 3D1 5.36398
153 1UNB PN1 5.36398
154 2V58 LZJ 5.36398
155 5M67 NAD 5.36398
156 5J75 6GQ 5.36398
157 5YBL AKG 5.36398
158 4HIA FMN 5.36398
159 6EXF LYS 5.36398
160 5V1B 8UY 5.41667
161 1QIN GIP 5.46448
162 1LRH NLA 5.52147
163 4XAC AKG 5.55556
164 3NV3 GAL NAG MAN 5.7971
165 1VYF OLA 5.92593
166 3STK PLM 6.06061
167 2XUM OGA 6.13027
168 3P3N AKG 6.13027
169 4B7E OGA 6.13027
170 2Y0I AKG 6.13027
171 1Z2P I3S 6.13027
172 1Z2P ACP 6.13027
173 2WA4 069 6.13027
174 5LXB 7A9 6.19835
175 6F4T OGA 6.27451
176 1Y0G 8PP 6.28272
177 1IIU RTL 6.32184
178 5OO5 UUA 6.45161
179 2VQ5 HBA 6.46766
180 2FCU AKG 6.51341
181 1U6R ADP 6.51341
182 5UI2 EQ3 6.51341
183 5ZM4 9FU 6.51341
184 5ZM4 AKG 6.51341
185 5TUX ECH 6.51341
186 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 6.51341
187 5SVV FMN 6.56934
188 3P7N FMN 6.58915
189 3E8T UQ8 6.81818
190 1MH5 HAL 6.84932
191 5F3I 5UJ 6.89655
192 6F5U CQN 6.89655
193 3JU6 ANP 6.89655
194 5FWE OGA 6.89655
195 5LY2 OGA 6.89655
196 4U0W 16G 6.91057
197 4LIT AKG 7.27969
198 6E08 NAP 7.27969
199 5HGR 45D 7.27969
200 5XQW 8EU 7.58294
201 5M0T AKG 7.66284
202 2Z6D FMN 7.69231
203 2Z6C FMN 7.75194
204 5FPX GLY SER SER HIS HIS HIS HIS HIS 7.9646
205 5IQT 6CU 8.04598
206 5IQT AKG 8.04598
207 2YG2 S1P 8.13953
208 2YG2 FLC 8.13953
209 5YW0 SIN 8.1761
210 3OYW TDG 8.20895
211 1GZW GAL BGC 8.20895
212 4Z28 BTN 8.20895
213 1W6P NDG GAL 8.20895
214 1W6O LAT 8.20895
215 5I8T LAC 8.37989
216 4PSB GA3 8.3871
217 6FXR AKG 8.42912
218 2A1X AKG 8.42912
219 3VDB 149 8.42912
220 1UU6 BGC BGC BGC BGC 8.48214
221 3E2M E2M 8.64865
222 1DRY AKG 8.81226
223 1DRY AAG 8.81226
224 4GJ3 0XP 8.81226
225 3VHH VHH 8.94309
226 3L5R 47X 9.01639
227 1KDK DHT 9.03955
228 1OGX EQU 9.16031
229 4OMJ 2TX 9.1954
230 1OLM VTQ 9.1954
231 5FWJ MMK 9.1954
232 1OS7 AKG 9.1954
233 1OS7 TAU 9.1954
234 2HZQ STR 9.1954
235 5DXT 5H5 9.1954
236 4R38 RBF 9.28571
237 5UWA 8ND 9.35961
238 3SAO NKN 9.375
239 3FW4 CAQ 9.55056
240 3KV5 OGA 9.57854
241 1H2M OGA 9.61539
242 2IUW AKG 9.66387
243 1ZOA 140 9.96169
244 4MNS 2AX 10.0629
245 2WPU KYT 10.0629
246 4BXF AKG 10.3448
247 3VQ2 LP4 LP5 MYR DAO 10.728
248 4JJJ CE6 10.728
249 4MLO PAM 10.728
250 4QPW XYP XYP XYP 11.2676
251 4DOL PLM 11.5207
252 4QXB OGA 11.7647
253 4BX7 B4F 12.0301
254 1H2K OGA 12.1951
255 1ODM ASV 12.2605
256 5YW5 ADE 12.2905
257 3A6T 8OG 12.4031
258 4QCK ASD 12.6437
259 4J7Q B7N 12.6437
260 5TBM 79A 13.0435
261 3T50 FMN 13.2812
262 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 13.41
263 1WUB OTP 13.4831
264 3BXO UPP 13.8075
265 5DQ8 FLF 14.1667
266 4P7X AKG 15.3257
267 4P7X YCP 15.3257
268 3AVR OGA 15.3257
269 6FUL E7Z 15.3257
270 4UF0 MMK 15.3257
271 5FP3 3JI 16.4751
272 6F6D AKG 16.4751
273 3E85 BSU 17.0886
274 5EPA AKG 17.2414
275 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 18
276 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 18
277 3Q60 ATP 19.9234
278 5C5T AKG 20.614
279 5JWP AKG 21.0526
280 2GC0 PAN 21.8085
281 1QY1 PRZ 22.9885
282 4OPC FDA 24.1379
283 1I06 TZL 25.5556
284 5EQU 5R6 31.8008
285 5EQU AKG 31.8008
286 5YBN AKG 34.4828
287 5NCJ SIN 37.5479
288 5NCJ HL5 37.5479
289 3N9O OGA 41.1765
Pocket No.: 4; Query (leader) PDB : 4XCB; Ligand: HY0; Similar sites found with APoc: 15
This union binding pocket(no: 4) in the query (biounit: 4xcb.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZW2 GLA NAG GAL FUC None
2 1VRP IOM 1.91571
3 2IF8 ADP 2.68199
4 1FX8 BOG 3.06513
5 1Q6I FK5 3.125
6 1YKD CMP 3.83142
7 4CNO 9PY 5.15873
8 3QRC SCR 5.73248
9 1PX8 XYP 6.13027
10 4UOZ GLA 6.89655
11 4W9N TCL 6.89655
12 4K55 H6P 7.25806
13 3UG4 AHR 7.66284
14 3NX2 FER 11.3095
15 2P7Q GG6 12.782
Pocket No.: 5; Query (leader) PDB : 4XCB; Ligand: AKG; Similar sites found with APoc: 58
This union binding pocket(no: 5) in the query (biounit: 4xcb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4O9S 2RY 0.930233
2 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 1.59574
3 4XMF HSM 1.63043
4 5HCY 60D 1.91571
5 3E7O 35F 1.91571
6 5T7I LAT NAG GAL 1.93548
7 5H5A 6OU 2.08333
8 4TXJ THM 2.29885
9 5EJ2 NAD 2.29885
10 5JSP DQY 2.48756
11 6C7Y ADP 2.5641
12 2ZJ1 ARJ 2.68199
13 2ZJ1 NAD 2.68199
14 1E8G FAD 2.68199
15 3PG7 PTY 2.73438
16 2XXP DSL 3.06513
17 1I7L ATP 3.06513
18 6FL8 TIY 3.06513
19 6FL8 ADP 3.06513
20 3RDO BTN 3.26797
21 3D72 FAD 3.3557
22 3RGA LSB 3.44828
23 3MHA Z69 3.44828
24 2OBD 2OB 3.44828
25 1OBD ATP 3.44828
26 1PK8 ATP 3.79147
27 5YU3 PRO 3.83142
28 5YU3 NAD 3.83142
29 1LGT BP3 3.83142
30 1YKD CMP 3.83142
31 1ZB6 DIN 4.21456
32 4FE2 ADP 4.31373
33 5HA0 LTD 4.48718
34 1QFT HSM 4.57143
35 6GR0 F8W 4.5977
36 4YZC STU 4.5977
37 1TT8 PHB 4.87805
38 4WN5 MVC 5.21739
39 1H4H XYP XYS XYP 5.26316
40 3FW9 SLX 5.36398
41 6GBV FMN 5.47945
42 4LA7 A1O 6.13027
43 5INJ 6C7 6.13027
44 1CZI PRO PHI SMC NOR 6.13027
45 2ZSC BTN 6.38298
46 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 6.51341
47 5H9Y BGC BGC BGC BGC 6.89655
48 3MF2 AMP 9.1954
49 5KEW 6SB 10.4167
50 2QL9 CIT 11.3402
51 2BKK ADP 11.4943
52 2YGN PCF 11.5385
53 1CX9 NHP 12.6437
54 2WKQ FMN 13.0268
55 3AJH BL3 13.7097
56 2YKL NLD 14.6226
57 4RYV ZEA 15.4839
58 1N9L FMN 17.4312
Pocket No.: 6; Query (leader) PDB : 4XCB; Ligand: HY0; Similar sites found with APoc: 10
This union binding pocket(no: 6) in the query (biounit: 4xcb.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5ML3 DL3 2.68456
2 6FOF LAT 3.57143
3 5Z46 GST 3.83142
4 2XMY CDK 4.98084
5 5ZM4 AKG 6.51341
6 1A78 TDG 6.71642
7 3OYW TDG 8.20895
8 6HDT BTN 9.02256
9 3SAO NKN 9.375
10 3ZXE PGZ 12.782
Pocket No.: 7; Query (leader) PDB : 4XCB; Ligand: AKG; Similar sites found with APoc: 37
This union binding pocket(no: 7) in the query (biounit: 4xcb.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1R5L VIV 1.14943
2 4K3H 1OM 2.54237
3 4RQL SNE 2.68199
4 5Y72 DST 3.06513
5 4CRL C1I 3.06513
6 4BCS BTN 3.2
7 5T8O 76Z 3.83142
8 4GID 0GH 3.83142
9 1NYW DAU 4.06091
10 1ZB6 GST 4.21456
11 3EKK GS2 4.21456
12 4JNJ BTN 4.34783
13 6AYH C3G 4.47761
14 3WCA FPS 4.98084
15 2XIQ MLC 5.74713
16 5W4W 9WG 5.74713
17 4S28 SAH 5.74713
18 4S28 AIR 5.74713
19 4XVU ATP 5.74713
20 3G08 FEE 6.06061
21 2A1L PCW 6.13027
22 1MJJ HAL 6.84932
23 5FM0 WAQ 6.92308
24 3F7Z 34O 7.27969
25 1KQW RTL 7.46269
26 3QP8 HL0 7.6087
27 3MPB FRU 8.53659
28 3DLG GWE 8.81226
29 4H6Q TFB 8.81226
30 2YGO PCF 9.57447
31 2J3M PRI 9.57854
32 2GJ5 VD3 9.87654
33 5TFZ 7BC 10.6667
34 1TW4 CHD 12
35 5KWY C3S 14.9798
36 4WO4 JLS 18
37 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 18
Pocket No.: 8; Query (leader) PDB : 4XCB; Ligand: AKG; Similar sites found with APoc: 15
This union binding pocket(no: 8) in the query (biounit: 4xcb.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2OVD DAO 2.1978
2 4Q5M ROC 2.95567
3 1QPB TPP 3.06513
4 4NZN 2OU 3.83142
5 4NZN ANP 3.83142
6 4ZSI 4R1 4.09357
7 5T2Z 017 5.05051
8 6GNO XDI 5.18518
9 6GVD FDK 5.36398
10 3G5N PB2 6.89655
11 3VMG 9CA 6.95652
12 1SIV PSI 8.08081
13 5ABF XRJ 9.57854
14 4EES FMN 13.0435
15 5DJU FMN 23.4483
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