-->
Receptor
PDB id Resolution Class Description Source Keywords
4KCW 2.5 Å EC: 2.7.1.40 PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI SOAKED WITH OX TRYPANOSOMA BRUCEI BRUCEI PYRUVATE KINASE DECARBOXYLASE TRANSFERASE
Ref.: PYRUVATE KINASES HAVE AN INTRINSIC AND CONSERVED DECARBOXYLASE ACTIVITY. BIOCHEM.J. V. 458 301 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1001;
B:1001;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL B:1006;
B:1005;
B:1007;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:1002;
B:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
OXL A:1003;
B:1003;
Valid;
Valid;
none;
none;
submit data
88.019 C2 O4 C(=O)...
FDP B:1004;
A:1004;
Valid;
Valid;
none;
none;
submit data
340.116 C6 H14 O12 P2 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4KCT 1.95 Å EC: 2.7.1.40 PYRUVATE KINASE (PYK) FROM TRYPANOSOMA BRUCEI SOAKED WITH OX TRYPANOSOMA BRUCEI BRUCEI PYRUVATE KINASE DECARBOXYLASE TRANSFERASE
Ref.: PYRUVATE KINASES HAVE AN INTRINSIC AND CONSERVED DECARBOXYLASE ACTIVITY. BIOCHEM.J. V. 458 301 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
2 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
3 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
4 4KCU - MLT C4 H6 O5 C([C@H](C(....
5 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
6 4KCW - OXL C2 O4 C(=O)(C(=O....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
2 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
3 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
4 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
5 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
6 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
7 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
8 4KCU - MLT C4 H6 O5 C([C@H](C(....
9 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
10 4KCW - OXL C2 O4 C(=O)(C(=O....
50% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5WSC - G6P C6 H13 O9 P C([C@@H]1[....
2 5WSB - G6P C6 H13 O9 P C([C@@H]1[....
3 5WS9 - OXL C2 O4 C(=O)(C(=O....
4 3BJF - FBP C6 H14 O12 P2 C([C@@H]1[....
5 6B6U - OXL C2 O4 C(=O)(C(=O....
6 4QG8 - MLI C3 H2 O4 C(C(=O)[O-....
7 4JPG - 1OX C16 H12 N4 O c1ccc2c(c1....
8 4G1N - NZT C24 H22 N6 O3 S c1cc2cccnc....
9 1A49 - OXL C2 O4 C(=O)(C(=O....
10 2G50 - PYR C3 H4 O3 CC(=O)C(=O....
11 6GG4 - PHE C9 H11 N O2 c1ccc(cc1)....
12 5X1V - FBP C6 H14 O12 P2 C([C@@H]1[....
13 3N25 - PRO C5 H9 N O2 C1C[C@H](N....
14 1A5U - OXL C2 O4 C(=O)(C(=O....
15 3QV9 - QV7 C22 H16 N4 O13 S4 c1cc(ccc1/....
16 3HQP - FDP C6 H14 O12 P2 C([C@@H]1[....
17 3QV8 - S62 C7 H5 N O6 S3 c1cc2c(cc1....
18 3PP7 - SVR C51 H40 N6 O23 S6 Cc1ccc(cc1....
19 4IP7 - FBP C6 H14 O12 P2 C([C@@H]1[....
20 4IMA - FLC C6 H5 O7 C(C(=O)[O-....
21 4KCV - FDP C6 H14 O12 P2 C([C@@H]1[....
22 4KCT - PYR C3 H4 O3 CC(=O)C(=O....
23 4HYW - FDP C6 H14 O12 P2 C([C@@H]1[....
24 4KCU - MLT C4 H6 O5 C([C@H](C(....
25 4HYV - PEP C3 H5 O6 P C=C(C(=O)O....
26 4KCW - OXL C2 O4 C(=O)(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OXL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OXL 1 1
2 MLI 0.416667 0.642857
Ligand no: 2; Ligand: FDP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FDP 1 1
2 TA6 0.55102 0.954545
3 F6P 0.55102 0.954545
4 SUP 0.516129 0.913043
5 FBP 0.462963 0.954545
6 AFP 0.462963 0.954545
7 F1X 0.407407 0.954545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4KCT; Ligand: FDP; Similar sites found with APoc: 182
This union binding pocket(no: 1) in the query (biounit: 4kct.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4OXX FMN None
2 1TLL FMN 1.002
3 5FA6 FMN 1.2024
4 5FA6 NAP 1.2024
5 5FA6 FAD 1.2024
6 1EWK GLU 1.42857
7 1E5D FMN 1.49254
8 2GJN FMN 1.52439
9 2GJN NIS 1.52439
10 5GXU FMN 1.60321
11 4YKG FAD 1.60321
12 1J0D 5PA 1.75953
13 4JBL MET 1.76991
14 3L6C MLI 1.76991
15 2PS1 ORO 1.76991
16 4GLL NAD 1.78042
17 1PG4 COA 1.80361
18 1PG4 PRX 1.80361
19 5UAV TFB 1.86335
20 5UAV NDP 1.86335
21 2J5V RGP 1.90736
22 1YJQ NAP 1.9802
23 3RC3 ANP 2.00401
24 3QVP FAD 2.00401
25 5XFV FMN 2.09581
26 5LV1 78T 2.14286
27 5O2J 2PO 2.1978
28 2FCR FMN 2.31214
29 1VB3 KPA 2.33645
30 2OHH FMN 2.40481
31 1T10 F6P 2.40481
32 4WOH 4NP 2.40964
33 5TTJ FAD 2.44898
34 5BSH PRO 2.52708
35 5GVR LMR 2.5641
36 1Q19 SSC 2.80561
37 4JWH SAH 2.8754
38 1T57 FMN 2.91262
39 6CEP NAD 2.99401
40 6CEP OXM 2.99401
41 9LDB NAD 3.01205
42 1DQN IMU 3.04348
43 2OG2 MLI 3.06407
44 4WOP CTP 3.11111
45 5LMC FMN 3.13152
46 3RGQ 5P5 3.20513
47 4X1B MLI 3.20641
48 2WC1 FMN 3.2967
49 3NRR D16 3.40681
50 4M0R 644 3.43008
51 5HJQ I3P 3.45745
52 1CZR FMN 3.5503
53 4JAL SAH 3.59281
54 4XVX P6G FDA 3.60721
55 3NK7 SAM 3.61011
56 4L1F FAD 3.65535
57 3C3Y SAH 3.79747
58 1HGX 5GP 3.82514
59 2VVL FAD 3.83838
60 4IF4 BEF 3.84615
61 5K9B FMN 3.88889
62 3X44 PUS 3.91566
63 3OII SAH 3.95257
64 3FJO FMN 4.00802
65 2YVK MRU 4.01069
66 3KAP FMN 4.08163
67 1OBV FMN 4.14201
68 4JWF SAH 4.14747
69 1O5O U5P 4.20842
70 4H2D FMN 4.24242
71 1V7C HEY 4.2735
72 1RLJ FMN 4.31655
73 2Q9U FMN 4.34783
74 2QQ0 ADP 4.34783
75 2QQ0 TMP 4.34783
76 2QQ0 ANP 4.34783
77 3ZJ0 ACO 4.36893
78 4P83 U5P 4.3956
79 3AYI HCI 4.40882
80 3AYI FAD 4.40882
81 1TMM APC 4.43038
82 1TMM HHR 4.43038
83 5A89 FMN 4.48718
84 5A89 ADP 4.48718
85 4U00 ADP 4.5082
86 4YQE PLQ 4.56853
87 4YQE FMN 4.56853
88 1VL0 NAI 4.60922
89 4XT8 TMQ 4.65116
90 4XT8 NAP 4.65116
91 4RL4 PPV 4.71698
92 1QK3 5GP 4.72103
93 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 4.80962
94 6CUZ FEV 4.89691
95 2Q7V FAD 4.92308
96 3QH2 3NM 4.97738
97 1GPE FAD 5.01002
98 6EMU SAM 5.07614
99 5MW4 5JU 5.08982
100 2ZE7 DST 5.13834
101 4PPF FLC 5.14286
102 2D2F ADP 5.2
103 5I7A 68Q 5.21472
104 1XSE NDP 5.42373
105 4UXH T5A 5.43478
106 2F5X ASP 5.44872
107 3F81 STT 5.46448
108 4HEQ FMN 5.47945
109 3VC3 C6P 5.52326
110 6AM8 TRP 5.55556
111 6AM8 PLT 5.55556
112 6AMI TRP 5.55556
113 3FJG 3PG 5.57769
114 3OZG SSI 5.6
115 1MXI SAH 5.625
116 1AG9 FMN 5.71429
117 1F5N GNP 5.81162
118 2UVO NDG 5.84795
119 3N39 FMN 5.88235
120 3MBI HSX 5.92335
121 6EBQ FMN 6.25
122 6FRN FMN 6.82927
123 2YY8 SAM 6.96517
124 6GAQ FMN 7.14286
125 1D6S PLP MET 7.14286
126 1D6S MET PLP 7.14286
127 1B1C FMN 7.18232
128 3ACC 5GP 7.18232
129 1REO FAD 7.20165
130 3FXU TSU 7.21311
131 3KLL MAL 7.41483
132 1I1N SAH 7.52212
133 3WR7 COA 7.64706
134 3GFB NAD 7.71429
135 1L5Y BEF 7.74194
136 1CX9 NHP 7.83582
137 2X2T GAL NGA 7.84314
138 5NUL FMN 7.97101
139 3ITJ FAD 7.98817
140 6FSG FMN 8.16327
141 5AHW CMP 8.16327
142 5JVB 2PO 8.21429
143 4JWJ SAH 8.41584
144 6AR9 3L4 8.45588
145 1SVM ATP 8.48806
146 1G6H ADP 8.56031
147 3LN9 FLC 8.63309
148 4LFL TG6 8.64198
149 6BYF CIT 8.82353
150 3L6R MLI 8.95954
151 2Z6J FMN 9.03614
152 5D85 P1T 9.20245
153 4JLS 3ZE 9.21053
154 4BMO FMN 9.2437
155 4BLW SAH 9.34256
156 3F6R FMN 9.45946
157 3CV6 HXS 9.90712
158 3CV6 NAP 9.90712
159 1BZY IMU 10.1382
160 3EGI ADP 10.1942
161 4UA3 COA 10.8247
162 3F8D FAD 10.8359
163 1N07 FMN 11.0429
164 1N07 ADP 11.0429
165 1XPJ TLA 11.1111
166 1S8F GDP 11.2994
167 1BVY FMN 11.3537
168 3TD3 GLY 11.3821
169 5U5G NAP 11.8644
170 1WG8 SAM 12.6316
171 4P86 5GP 13.1148
172 1MJT NAD 15.2738
173 5TWJ SAM 15.4321
174 2XVD AS6 15.5629
175 4N82 FMN 16.2921
176 4TO8 FLC 16.7808
177 2JBH 5GP 18.2222
178 1AKV FMN 19.0476
179 5VEG FMN 19.1011
180 5LJI FMN 19.5946
181 3VPB GLU 23.2143
182 5Z84 PEK 23.4694
Pocket No.: 2; Query (leader) PDB : 4KCT; Ligand: FDP; 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: 4kct.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4KCT; Ligand: PYR; Similar sites found with APoc: 210
This union binding pocket(no: 3) in the query (biounit: 4kct.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6BKK 308 None
2 4YZN 4K5 1.0453
3 5KF6 TFB 1.40281
4 5KF6 FAD 1.40281
5 4NMC 2OP 1.60321
6 4NMC FAD 1.60321
7 2GUC MAN 1.63934
8 2GUD MAN 1.63934
9 2GUD BMA 1.63934
10 2NUO BGC 1.63934
11 2NU5 NAG 1.63934
12 1W5T ANP 1.69903
13 5WX3 COA 1.76768
14 4MIG G3F 1.80361
15 1LQA NDP 1.80361
16 4DDY DN6 1.90114
17 1O5Q PYR 1.96721
18 2QJN KDG 1.99005
19 3T7V MD0 2
20 1VBH PEP 2.00401
21 1JQN DCO 2.00401
22 3FPF TNA 2.01342
23 3FPF MTA 2.01342
24 5M42 FMN 2.15054
25 4HWT 1B2 2.17918
26 1D8C GLV 2.20441
27 4B2Z P5S 2.23214
28 3G6K POP 2.27273
29 3G6K FAD 2.27273
30 2WSI FAD 2.28758
31 5X9D 80F 2.30263
32 5KJW 53C 2.34192
33 4OB6 S2T 2.34604
34 5UKL SIX 2.35988
35 2GGH NLQ 2.4
36 3PE2 E1B 2.40481
37 3ZOA ACR 2.40481
38 5W4W 9WG 2.41692
39 4UBT 3G6 2.50627
40 3E85 BSU 2.53165
41 2BQP GLC 2.5641
42 3APT FAD 2.58065
43 1SJD NPG 2.71739
44 12AS AMP 2.72727
45 2DUR MAN MAN 2.7668
46 2D4V NAD 2.7972
47 1REQ DCA 2.80561
48 4EUE NAI 2.87081
49 4ZM4 PLP 2.90828
50 3AWJ COA 2.98507
51 4ZVV NAD 3.01205
52 4ZVV GN0 3.01205
53 4IDC NDP 3.01205
54 4IDC 1XX 3.01205
55 5BVE 4VG 3.04709
56 2OG2 MLI 3.06407
57 3MDV CL6 3.07018
58 4WNP 3RJ 3.13589
59 1JJE BYS 3.15315
60 1O68 KIV 3.27273
61 1ERB ETR 3.27869
62 4JTA NAP 3.3033
63 3B8X G4M 3.33333
64 3EAU NDP 3.36391
65 3EAU PDN 3.36391
66 3H22 B53 3.367
67 4WHZ 3NL 3.37662
68 3CV2 OXL 3.40681
69 1KC7 PPR 3.40681
70 3O0Q ADN 3.40681
71 3O0Q GDP 3.40681
72 3O0Q TTP 3.40681
73 4OHY ANP 3.40681
74 2C6Q NDP 3.4188
75 2WPF FAD 3.43434
76 2WPF WPF 3.43434
77 4A3R CIT 3.48837
78 4I42 1HA 3.50877
79 4L9Z COA 3.53982
80 4L9Z OXL 3.53982
81 4X6F 3XU 3.55872
82 3B9Q MLI 3.64238
83 2G37 FAD 3.66972
84 4S3F 43W 3.69458
85 2XZ9 PYR 3.7037
86 2GJ5 VD3 3.7037
87 4LED XXR 3.73134
88 5ULJ 0WD 3.74065
89 3WG6 NDP 3.90879
90 1EYE PMM 3.92857
91 5XJ7 87O 3.9801
92 4XF6 LIP 4.0293
93 4XF6 INS 4.0293
94 4XF6 ADP 4.0293
95 4CCO OGA 4.06852
96 1C3M MAN MAN 4.08163
97 2C91 NAP 4.14201
98 4HKP TKW 4.16667
99 4HKP 16B 4.16667
100 4RDI ATP 4.16667
101 1OX5 1PR 4.20842
102 6C6O ENG 4.20842
103 4S28 AIR 4.20842
104 4S28 SAH 4.20842
105 6FNU FAD 4.22078
106 1U3G THF 4.2328
107 3I3X U22 4.2471
108 1XG5 NAP 4.30108
109 2YC5 6BC 4.38596
110 2Q28 ADP 4.40882
111 2Q28 TPP 4.40882
112 2BS5 BGC GAL FUC 4.44444
113 6CLV 6MB 4.46735
114 1EE0 CAA 4.47761
115 1DQX BMP 4.49438
116 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 4.56621
117 5UCD NAP 4.59519
118 4O8A FAD 4.60922
119 1TIW FAD 4.60922
120 1TIW TFB 4.60922
121 4FFG LBS 4.60922
122 2HKA C3S 4.61538
123 3MI2 PFU 4.6595
124 5GM9 CBK 4.69484
125 2REG CHT 4.69799
126 4LOO SB4 4.70914
127 3DR4 G4M 4.80962
128 1FFU CDP 4.90798
129 2QCD U5P 5
130 4ZCW 4NG 5
131 3BLI PYR 5.04451
132 3KVY URA 5.17799
133 3WCZ CIT 5.19481
134 3BOF HCS 5.21042
135 1Q8A HCS 5.21042
136 1R6N 434 5.21327
137 3B8I OXL 5.22648
138 3VPD BUA 5.33808
139 1P7T PYR 5.41082
140 5VIT MLI 5.41082
141 1DBT U5P 5.43933
142 2ZHZ ATP 5.46448
143 2A8Y MTA 5.55556
144 1R6W 164 5.59006
145 5XET ME8 5.61122
146 1LGT BP3 5.72391
147 4A2B AGS 5.72792
148 4A2A ATP 5.72792
149 3KOX Z98 5.78512
150 1UJP CIT 5.81162
151 1EXB NDP 5.82524
152 3MVH WFE 5.84795
153 2FLI DX5 5.90909
154 4D52 GXL 6.03175
155 4D52 GIV 6.03175
156 4D4U FUC GAL 6.03175
157 4IEN GDP 6.13497
158 3IAE D7K 6.21242
159 2UZ1 TPP 6.21242
160 6FCX FAD 6.21242
161 3CIP ATP 6.25
162 4QIJ 1HA 6.28743
163 4RW3 IPD 6.29139
164 5YSQ INS 6.29371
165 4H6Q TFB 6.41026
166 4H6Q FAD 6.41026
167 1N62 MCN 6.41283
168 3HAZ FAD 6.61323
169 2ART LPA AMP 7.25191
170 1IZC PYR 7.37463
171 4TWP AXI 7.38007
172 2D3M COA 7.38916
173 1Q6O LG6 7.40741
174 4O12 2QG 7.41483
175 5W8Q BU4 7.4359
176 4L80 OXL 7.75862
177 4JOB TLA 7.81563
178 1UPF URF 8.03571
179 3AD8 FAD 8.08081
180 3AD8 PYC 8.08081
181 1M5W DXP 8.23045
182 5EO8 TFU 8.36013
183 3C56 PH4 8.46906
184 2GN3 MMA 8.73016
185 1OFZ FUC 8.97436
186 1OFZ FUL 8.97436
187 6AIX A3P 8.99471
188 3EFS BTN 9.01288
189 2Q8Z NUP 9.35672
190 4WN5 MVC 9.56522
191 3LF0 ATP 9.64912
192 4B5W PYR 9.76562
193 5W3X ACO 10
194 1WUB OTP 10.6742
195 1X1Z BMP 10.7143
196 6GNO XDI 11.1111
197 4O9S 2RY 11.1628
198 3BY8 MLT 11.2676
199 1XG4 ICT 11.5254
200 5UFC DR2 11.6935
201 6FLZ MMA 11.8056
202 2V5K OXM 11.8467
203 3BJE URA 12.0344
204 4TL6 ANP 12.6482
205 2AK3 AMP 12.8319
206 2VWT PYR 13.8577
207 1EIX BMQ 15.5102
208 1Y0G 8PP 16.2304
209 4TUO SIA GAL SIA GLC NGA 19.6262
210 2GAG FAD 23.8095
Pocket No.: 4; Query (leader) PDB : 4KCT; Ligand: PYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4kct.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4KCT; Ligand: FDP; Similar sites found with APoc: 38
This union binding pocket(no: 5) in the query (biounit: 4kct.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1M4I COA None
2 1M4I KAN None
3 3C3N FMN 1.60256
4 2RI1 GLP 1.70213
5 5ZQS XYP 1.80361
6 5BSR COA 2.02952
7 5TS5 FAD 2.60521
8 3HVJ 705 2.71493
9 1V35 NAI 2.73556
10 2F2H XTG 2.80561
11 1X87 NAD 3.00601
12 2YG3 FAD 3.09051
13 5D9O BGC BGC BGC BGC 3.11615
14 5THY SAH 3.20988
15 1E5Q NDP 3.33333
16 1JJ7 ADP 3.46154
17 1G8S MET 3.47826
18 3SM2 478 3.78788
19 1UXG FUM 3.80762
20 1UXG NAD 3.80762
21 3KO8 NAD 4.16667
22 4UP4 GAL NAG 4.2394
23 2FJK 13P 4.2623
24 2CYC TYR 4.26667
25 1FL2 FAD 4.51613
26 3LZW NAP 4.51807
27 5MPT SAH 4.58937
28 1RYO OXL 4.89297
29 1RP0 AHZ 5.28169
30 3VPD CIT 5.33808
31 2UVO NAG 5.84795
32 4Z87 GDP 6.41283
33 3H86 AP5 6.77083
34 5LQ8 GB 7.80142
35 5B3A 0JO 9.2545
36 3WMX THR 9.49721
37 1W4R TTP 11.2821
38 1LSS NAD 13.5714
Pocket No.: 6; Query (leader) PDB : 4KCT; Ligand: FDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4kct.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4KCT; Ligand: PYR; Similar sites found with APoc: 98
This union binding pocket(no: 7) in the query (biounit: 4kct.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2HSA FMN 1.24378
2 5M4Q PRO 1.44628
3 2PTR 2SA 1.51515
4 5XGX DAS DLY 1.51899
5 3C3N FMN 1.60256
6 1W5T ADP 1.69903
7 4OPC FDA 1.766
8 4OPC PGT 1.766
9 3EPO MP5 1.80361
10 5IXH OTP 1.86335
11 4MOP 2H5 1.89573
12 5HES 032 1.9544
13 1IGW PYR 2.07373
14 4R5M 4NO 2.12766
15 4R5M NAP 2.12766
16 4LXH C1E 2.16606
17 2P8B NSK 2.16802
18 5ABH YWN 2.20441
19 1Z6K OAA 2.38908
20 2Q4W FAD 2.40481
21 4GA6 AMP 2.40481
22 5DMZ ADP 2.46575
23 4WB6 ATP 2.57143
24 2QCS ANP 2.57143
25 4H8N NDP 2.58065
26 2EB5 OXL 2.62172
27 2WME NAP 2.65306
28 2WOX NDP 2.65849
29 2GEK GDP 2.70936
30 1RBL CAP 2.75229
31 4IDT T28 3.08989
32 5VC5 96M 3.11419
33 5X1M THG 3.16456
34 5X1M DHB 3.16456
35 3TLC 7MD 3.2345
36 3FHI ANP 3.24675
37 5EYK 5U5 3.26087
38 1OYF MHN 3.30579
39 1D6H COA 3.35917
40 4JD3 COA 3.39943
41 4H03 ATP 3.46667
42 2Y7G AAE 3.5461
43 3CQD ATP 3.55987
44 3TXO 07U 3.68272
45 2F2U M77 3.80762
46 1C9K 5GP 3.88889
47 3EWC MCF 4.04313
48 4CZG QH3 4.31034
49 3EM0 CHD 4.34783
50 4I4Z 2NE 4.36364
51 3RI1 3RH 4.47284
52 1GEE NAD 4.5977
53 1ME8 RVP 4.60922
54 1AJ0 PH2 4.60993
55 1AJ0 SAN 4.60993
56 2IGA XX2 4.65753
57 3RJ5 NAD 4.72441
58 5XQW 8EU 4.73934
59 1KKR 2AS 4.84262
60 2WQP WQP 5.15759
61 2X1L ADN 5.21042
62 1NVM OXL 5.21739
63 2PTZ PAH 5.32407
64 2FF6 ATP 5.33333
65 2JLD AG1 5.47619
66 2IV3 UDP 5.84795
67 1TKK ALA GLU 6.01093
68 1UNH IXM 6.25
69 2NSJ C2R 6.50888
70 5JFL NAD 6.61323
71 1TB4 PEJ 6.73854
72 5UMY TNN 7.14286
73 1EBG PAH 7.33945
74 6CMJ F6J 7.47664
75 5A5W GUO 7.50988
76 1V0O INR 7.63889
77 3UXL CFI 8.61619
78 4EWH T77 8.72727
79 1P9B GDP 9.04977
80 4OTH DRN 9.09091
81 6C4A PYR 9.27602
82 1U7Z PMT 9.29204
83 1YQZ FAD 9.36073
84 5KZD RCJ 9.55631
85 1GR0 NAD 9.80926
86 5MZY 8EZ 9.81132
87 1M3U KPL 10.2273
88 1KBI FMN 10.4208
89 5NBW 8SK 11.2613
90 3NZ1 3NY 12.2605
91 1LBF 137 12.5506
92 4R2M ANP 12.6582
93 2J9D ADP 15.9664
94 6BFG FMN 17.0426
95 2AL2 2PG 17.4312
96 2AL2 PEP 17.4312
97 3E5A VX6 27.2727
98 1V3S ATP 35.3448
Pocket No.: 8; Query (leader) PDB : 4KCT; Ligand: PYR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4kct.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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