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Receptor
PDB id Resolution Class Description Source Keywords
5W97 2.3 Å EC: 1.9.3.1 CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINE SERIAL FEMTOSECOND X-RAY CRYSTALLOGRAPHY AT ROOM TEMPERATUR BOS TAURUS BIOENERGETICS PROTON TRANSLOCATION OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINED BY SERIAL FEMTOSECOND X-RAY CRYSTALLOGRA ROOM TEMPERATURE. PROC. NATL. ACAD. SCI. V. 114 8011 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CUA B:302;
B:301;
Part of Protein;
Part of Protein;
none;
none;
submit data
127.092 Cu2 [Cu][...
CHD C:306;
C:302;
B:301;
B:303;
C:301;
J:101;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
408.571 C24 H40 O5 C[C@H...
TGL D:201;
L:101;
A:608;
A:606;
I:101;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
891.48 C57 H110 O6 CCCCC...
DMU M:101;
C:307;
M:401;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
482.562 C22 H42 O11 CCCCC...
CU A:603;
Part of Protein;
none;
submit data
63.546 Cu [Cu+2...
CDL C:305;
G:101;
G:103;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
1464.04 C81 H156 O17 P2 CCCCC...
HEA A:601;
A:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
852.837 C49 H56 Fe N4 O6 Cc1c2...
PGV C:304;
G:103;
A:606;
C:303;
A:607;
C:301;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
749.007 C40 H77 O10 P CCCCC...
PEK C:308;
C:302;
C:309;
G:102;
C:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
768.055 C43 H78 N O8 P CCCCC...
CMO A:609;
A:608;
Invalid;
Invalid;
none;
none;
submit data
28.01 C O [C-]#...
PSC B:302;
E:201;
Invalid;
Invalid;
none;
none;
submit data
759.068 C42 H81 N O8 P CCCCC...
ZN F:101;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NA A:605;
Part of Protein;
none;
submit data
22.99 Na [Na+]
MG A:604;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5W97 2.3 Å EC: 1.9.3.1 CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINE SERIAL FEMTOSECOND X-RAY CRYSTALLOGRAPHY AT ROOM TEMPERATUR BOS TAURUS BIOENERGETICS PROTON TRANSLOCATION OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF CO-BOUND CYTOCHROME C OXIDASE DETERMINED BY SERIAL FEMTOSECOND X-RAY CRYSTALLOGRA ROOM TEMPERATURE. PROC. NATL. ACAD. SCI. V. 114 8011 2017 U.S.A.
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5WAU - CHD C24 H40 O5 C[C@H](CCC....
2 5W97 - CHD C24 H40 O5 C[C@H](CCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 5WAU - CHD C24 H40 O5 C[C@H](CCC....
2 5W97 - CHD C24 H40 O5 C[C@H](CCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5WAU - CHD C24 H40 O5 C[C@H](CCC....
2 5W97 - CHD C24 H40 O5 C[C@H](CCC....
3 2Y69 - CHD C24 H40 O5 C[C@H](CCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CHD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CHD 1 1
2 GCH 0.785714 0.714286
3 DXC 0.609195 1
4 JN3 0.6 1
5 4OA 0.478261 0.972222
6 CHO 0.474747 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5W97; Ligand: CHD; Similar sites found with APoc: 100
This union binding pocket(no: 1) in the query (biounit: 5w97.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1TIQ COA 5.50459
2 4RJD TFP 6.06061
3 5UGW GSH 7.05882
4 5NNT DPV 8.10811
5 2PX6 DH9 8.25688
6 6B2M COA 8.84354
7 3MBG FAD 10.1695
8 1OQC FAD 10.1695
9 3O55 FAD 10.1695
10 4UA3 COA 10.2041
11 2QZT PLM 10.6383
12 3D78 NBB 10.7143
13 1SUW NAP 10.7143
14 3IX9 MTX 10.7143
15 1VYF OLA 11.8644
16 2HJ3 FAD 12.2449
17 5L4L 7OX 12.2449
18 1NU4 MLA 12.3711
19 2DRC MTX 12.9252
20 2JFZ DGL 13.0435
21 2JFZ 003 13.0435
22 3HB5 E2B 13.0435
23 2C49 ANP 13.5593
24 2AMT GPP 13.7615
25 2HFP NSI 14.2857
26 4NKW PLO 14.2857
27 3E85 BSU 14.557
28 3HCN CHD 15.2174
29 4ZBR DIF 15.2174
30 4ZBR NPS 15.2174
31 4DP3 MMV 15.2941
32 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 15.3061
33 5U98 1KX 16.1616
34 4KCF AKM 16.4384
35 3JRS A8S 16.4706
36 5JO1 6LM 16.5138
37 3T58 FAD 17.0213
38 3AMN CBI 17.0213
39 3AMN CBK 17.0213
40 4E70 N7I 17.3469
41 3P0K FAD 17.3913
42 5KF9 ACO 17.3913
43 1OLM VTQ 17.4312
44 2R2L PB9 17.6471
45 4O1M NAD 17.8082
46 1J3I NDP 17.8082
47 6CS8 F9Y 17.8571
48 4OIC A8S 18.3673
49 5DM1 SAH 18.3673
50 1U1I NAD 18.8235
51 3E70 GDP 19.1781
52 5FVJ ACO 19.5652
53 4LA7 A1O 19.5652
54 5JNN 6LM 19.5652
55 6AOV SIA GAL NAG GAL NAG 21.0884
56 2GWH PCI 21.2766
57 4EJ1 FOL 21.2766
58 1BZL GCG 21.4286
59 5EEH SAH 21.7391
60 5EEH P9P 21.7391
61 1GEG GLC 21.7391
62 1RE9 DSO 22.0183
63 2ZPA ACO 22.3529
64 3PG7 PTY 23.1293
65 3KDJ A8S 23.2143
66 5G57 6M5 23.4043
67 4ORR PE3 23.5294
68 5LGA 6VH 23.7288
69 4M7V RAR 23.913
70 6CHP F0Y 23.913
71 1YKI FMN 24.6575
72 1YKI NFZ 24.6575
73 1ZDU P3A 24.7059
74 1YOK P6L 24.7059
75 1YUC EPH 24.7059
76 4DHY S41 24.7059
77 1UDY FAD 25
78 1UDY CS8 25
79 3KJS DQ1 25.5319
80 2VVT I24 26.087
81 2JEV NHQ 27.6596
82 3OZV ECN 28.2609
83 2R0N TGC 28.7671
84 1KOR ANP 28.8136
85 1KOR ARG 28.8136
86 1KOR SIN 28.8136
87 5LKT BCO 31.7647
88 3FWN ATR 31.9149
89 1JR8 FAD 32.6087
90 2IZ1 ATR 32.6087
91 4IAE 1DX 32.8767
92 5GQX GLC GLC GLC GLC GLC GLC GLC 32.8767
93 2BL9 NDP 32.9412
94 2BL9 CP6 32.9412
95 1AKY AP5 35.7143
96 3EEL 53T 36.9565
97 4EIL FOL 37.2881
98 5OM2 DXT 40.678
99 2XVF FAD 46.4286
100 2XVE FAD 48.2143
Pocket No.: 2; Query (leader) PDB : 5W97; Ligand: CHD; Similar sites found with APoc: 165
This union binding pocket(no: 2) in the query (biounit: 5w97.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1WS1 BB2 7.05882
3 5OHJ 9VE 8.81226
4 3G5K BB2 8.84354
5 3GWT 066 9.17431
6 2VBQ BSJ 9.18367
7 1DEK DGP 10.5882
8 1BWO LPC 10.6383
9 2XSU PIE 10.7143
10 4XB4 45D 10.7143
11 3RET PYR 10.8911
12 3RET SAL 10.8911
13 3JUQ AJD 11.0092
14 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 11.7647
15 3MAX LLX 11.7647
16 1U8V FAD 11.7647
17 3E7O 35F 11.8644
18 2OBD 2OB 12.2449
19 2OBD PCW 12.2449
20 3G58 988 12.3288
21 1XON PIL 12.3288
22 4RHP PEF 12.5
23 3G4G D71 12.7753
24 1R5L VIV 12.844
25 1LQY BB2 12.9412
26 6C7R EO4 12.9412
27 1S17 GNR 12.9412
28 6BYM HC3 12.9412
29 1G27 BB1 13.0435
30 4H6Q TFB 13.2653
31 4H6Q FAD 13.2653
32 1ZDT PEF 14.1176
33 4D7M TDC 14.1176
34 3OV6 MK0 14.2857
35 3E3U NVC 14.2857
36 5WX3 COA 14.8936
37 2EW5 Y12 14.8936
38 3KO0 TFP 14.8936
39 6GL8 F3Q 15.1163
40 2ALG HP6 15.2174
41 2ALG DAO 15.2174
42 5C1M OLC 15.2174
43 4RW3 TDA 15.2542
44 3G08 FEE 15.2542
45 2R40 EPH 15.2542
46 3WHB DCC 15.2542
47 3ZO7 K6H 15.2542
48 3E8T UQ8 15.2941
49 4DE2 DN3 15.2941
50 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 15.5963
51 5LJ0 6XX 15.5963
52 4I4Z 2NE 16.3265
53 5W8Q BU4 16.4384
54 3APT FAD 16.4706
55 3EKK GS2 16.4706
56 4D7E FAD 16.4706
57 3QKD HI0 16.4706
58 5BQS 4VN 17.0213
59 5B0W 22B 17.3913
60 3RS8 APR 17.3913
61 4G31 0WH 17.4312
62 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 17.6471
63 1UCD URA 17.6471
64 1S7G NAD 17.8082
65 2Y31 SMQ 17.8571
66 5IF4 6AK 17.8571
67 4KVX ACO 17.8571
68 2YLD CMO 18.3486
69 4NSQ COA 18.3673
70 5CHR 4NC 18.3673
71 5MTE BB2 18.3673
72 4I42 1HA 18.3673
73 3W54 RNB 18.6441
74 5G10 6DK 18.6441
75 3EM0 CHD 18.8235
76 3KXC PLM 19.1489
77 3IHG FAD 19.1489
78 5HH0 COA 19.1489
79 6F90 MVL 19.1489
80 4EI7 GDP 19.1489
81 1TV5 A26 19.1781
82 3WDM ADN 19.1781
83 1XMY ROL 19.2661
84 4KBS PX2 19.5652
85 3TGE TGE 19.5652
86 3QUZ QUV 20
87 3LLI FAD 20
88 4M8E 29V 20.1835
89 3H0A D30 20.1835
90 5LOF 70R 20.1835
91 1OW4 2AN 20.1835
92 3FAL REA 20.1835
93 1OZH HE3 20.339
94 2WH8 II2 20.5479
95 1M13 HYF 21.0884
96 3W5N RAM 21.1765
97 5XJN 88L 21.1765
98 5GWE GWM 21.1765
99 5YJF 8WO 21.2766
100 5YJF SAH 21.2766
101 4EOX 0S5 21.4286
102 2OKL BB2 21.4286
103 3HUJ AGH 21.7391
104 5J6D 6H5 21.7391
105 2Q8G AZX 22.0339
106 2X5W K2B 22.0339
107 4WGF HX2 22.3529
108 5CUQ NSC 22.9358
109 5Y24 GLY MET PRO ARG GLY ALA 22.9358
110 5CC2 CKA 23.2143
111 3PVT 3HC 23.2143
112 1JGS SAL 23.2143
113 2YYJ 4HP 23.2877
114 2YYJ FAD 23.2877
115 5EK3 5PK 23.4043
116 2YOO K2B 23.4043
117 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 23.4043
118 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 23.5294
119 6BR9 PGV 23.7288
120 4UIB GWX 23.7288
121 6BR8 PGV 23.7288
122 1N20 3AG 23.8532
123 5TUX ECH 23.913
124 4HEE 14R 24
125 4COL DTP 24.7059
126 6GXA TB8 24.7059
127 5W7B MYR 25.4237
128 4CJX 9L9 26.0274
129 1EE0 CAA 26.5306
130 5JF2 SF7 26.5306
131 1R6N 434 26.7857
132 1U1B PAX 27.1186
133 2ZCQ B65 27.3973
134 4DR9 BB2 27.6596
135 1NUS NMN 28.2353
136 1NUS APC 28.2353
137 1Q1Y BB2 28.7671
138 1SZD APR 28.7671
139 2OD9 A1R NCA 28.7671
140 4MNS 2AX 28.8136
141 4JE7 BB2 29.2517
142 1XX4 BAM 29.7872
143 2FDW D3G 29.7872
144 5ET3 60C 30
145 1Y0G 8PP 30.137
146 3T6E UQ9 30.3571
147 5N69 2OW 30.4348
148 5C2H 4PX 30.5085
149 5C2H 4XU 30.5085
150 5IKH 6BW 31.1927
151 5UWA 8ND 31.5068
152 1LBT T80 31.9149
153 3K9U ACO 32.1101
154 6EQ8 BQZ 32.6087
155 3JYN NDP 34.0426
156 4WO4 JLS 35.5932
157 1RQJ RIS 35.5932
158 2XCG XCG 36.1702
159 1P1M MET 36.1702
160 3W68 VIV 39.1304
161 5LX9 OLA 39.2857
162 5LWY OLA 39.2857
163 5LX9 OLB 39.2857
164 2FYU FDN 43.4783
165 2D5X L35 45.6522
166 5FKP 6UL 50
Pocket No.: 3; Query (leader) PDB : 5W97; Ligand: CHD; Similar sites found with APoc: 693
This union binding pocket(no: 3) in the query (biounit: 5w97.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5N8V KZZ 2.89855
2 4HIA FMN 3.97727
3 5G3N X28 5.88235
4 4LHW GNP 6.12245
5 5AEI LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 6.13027
6 4NAT ADP 6.25
7 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 6.66667
8 1LRI CLR 6.77966
9 2WOR 2AN 7
10 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 7.14286
11 3IK7 BOB 7.20721
12 1OE0 TTP 7.3913
13 3NC9 TR3 8.25688
14 2UXI G50 8.47458
15 3SE5 ANP 8.69565
16 3ZLM ANP 8.69565
17 5KAU RHQ 8.92857
18 3D72 FAD 9.18367
19 1L6O SER LEU LYS LEU MET THR THR VAL 9.47368
20 4EES FMN 9.56522
21 6MPT C30 9.58904
22 2QHD DAO 9.58904
23 3IS2 FAD 9.74026
24 5X4Q 7Z6 9.92908
25 5OYH T99 10.0917
26 5N9T 8QQ 10.2041
27 5I49 2KH 10.2041
28 2BW7 ECS 10.5023
29 2BW7 APC 10.5023
30 5UC1 486 10.5882
31 4KXL 6C6 10.5882
32 2WCJ M21 10.6383
33 4S1B 2BA 10.6383
34 5DUF G7A 10.6383
35 4FDV 0UK 10.7143
36 2VZZ SCA 10.7143
37 1PN4 HDC 10.7143
38 3QMK SGN IDS SGN IDS 10.7477
39 4RKK GLC GLC GLC GLC GLC GLC 10.8696
40 1N46 PFA 10.8696
41 5EFW FMN 10.8696
42 4N9I PCG 10.8696
43 1MMQ RRS 10.8844
44 2VWA PTY 10.8911
45 5HCV 60R 10.9589
46 4UDB CV7 10.9589
47 5L7G 6QE 10.9589
48 5MWY YNU 10.9589
49 1SBR VIB 10.9589
50 5NTP 98E 11.0092
51 3R1V AZB 11.0092
52 3S0E EOL 11.0092
53 5IXK 6EW 11.0092
54 3KP6 SAL 11.0092
55 4QJK COA 11.0638
56 3G9E RO7 11.1111
57 5TWO 7MV 11.1111
58 3ET3 ET1 11.1111
59 2EIX FAD 11.1111
60 3FRQ ERY 11.2821
61 1LEK GLU GLN TYR LYS PHE TYR SER VAL 11.5646
62 3F8C HT1 11.7647
63 2FP2 TSA 11.7647
64 2LBD REA 11.7647
65 6AP8 BNY 11.8644
66 3U5S FAD 11.9048
67 4WPF 3SN 12.1212
68 4XT8 TMQ 12.2449
69 5OSW DIU 12.2449
70 5A4W QCT 12.3288
71 1YKD CMP 12.3348
72 4XNV BUR 12.5
73 1UHK CZN 12.5654
74 1QV1 CZH 12.766
75 4DOL PLM 12.766
76 1OJ4 CDM 12.766
77 3Q2H QHF 12.766
78 5SVV FMN 12.766
79 1GQG DCD 12.766
80 4JSR 1NQ 12.766
81 4M3P HCS 12.7753
82 4C0R GDS 12.844
83 3D04 SAK 12.9252
84 2A3I C0R 12.9412
85 1NYT NAP 12.9412
86 4QVX 3CQ 12.9412
87 6FX0 E9T 12.9412
88 1N83 CLR 13.0435
89 4LWU 20U 13.0435
90 4E1N TQX 13.0435
91 2GBB CIT 13.0435
92 4RYV ZEA 13.0435
93 4N6H EJ4 13.2653
94 2GJ3 FAD 13.3333
95 3KMZ EQO 13.5593
96 5NI5 8YB 13.5593
97 6ESN BWE 13.5593
98 3FEI CTM 13.5593
99 2NPA MMB 13.5593
100 3SP6 IL2 13.5593
101 3ET1 ET1 13.5593
102 3KMR EQN 13.5593
103 4ASJ N6A 13.5593
104 3OIX FMN 13.5593
105 5APK 76E 13.5593
106 4WZH FMN 13.5593
107 3K87 FAD 13.6054
108 4XRZ SI6 13.6054
109 5BYK OAQ 13.6054
110 5BYK A3P 13.6054
111 6DWD HDV 13.6054
112 5UC9 MYR 13.6054
113 4WT2 3UD 13.6986
114 4HBM 0Y7 13.6986
115 1NWW HPN 13.6986
116 4OAS 2SW 13.6986
117 3F8K COA 13.6986
118 3NBK PNS 13.6986
119 5N7O 69Y 13.6986
120 6AYI C3G 13.7615
121 3L1N PLM 13.7615
122 5OVV ACE ILE GLU SER THR GLU ILE 13.8211
123 2X32 OTP 13.9665
124 4QJR PIZ 14.1176
125 2Q0D ATP 14.1176
126 3VVY ET 14.1176
127 4OQR 2UO 14.1176
128 5GPG RAP 14.1176
129 1HG4 LPP 14.1176
130 5DQW ADP 14.218
131 5X93 K87 14.2857
132 3EE4 MYR 14.2857
133 5XK9 DMA 14.2857
134 1K7L 544 14.2857
135 5XK9 GST 14.2857
136 6ARJ SAH 14.2857
137 6ARJ BW4 14.2857
138 1M21 PHE CSI LEU PHA 14.2857
139 4L1F COS 14.2857
140 2NNQ T4B 14.5038
141 2RH1 CLR 14.6789
142 1ZED PNP 14.6789
143 2RH1 CAU 14.6789
144 2F5T MAL 14.6789
145 3GWL FAD 14.8936
146 2WZV FMN 14.8936
147 1ZVX FIN 14.8936
148 6B3A SAM 14.8936
149 1HK8 DGT 14.8936
150 2VAT COA 14.8936
151 2B96 ANN 14.8936
152 4INW 1EY 15
153 5CX6 CDP 15.0685
154 3LSJ COA PLM 15.0685
155 3KJD 78P 15.0685
156 2OZ5 7XY 15.0685
157 3RGA ILD 15.2174
158 5ICE SAH 15.2174
159 5C1M 4VO 15.2174
160 6HH6 A3R 15.2174
161 2C9E PID 15.2174
162 5UQK U2F 15.2174
163 5ICE 2H4 15.2174
164 3KC1 2T6 15.2174
165 2E2R 2OH 15.2542
166 5VJE GOS 15.2542
167 1ATL 0QI 15.2542
168 2R40 20E 15.2542
169 2X7J TPP 15.2542
170 5UR6 8KM 15.2941
171 1POC GEL 15.2941
172 4WVO 3UZ 15.2941
173 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 15.2941
174 5OJY 9XB 15.2941
175 1D6H COA 15.2941
176 1XAP TTB 15.2941
177 2QV6 GTP 15.3061
178 5TIV A3P 15.4185
179 5NTW 98N 15.5963
180 5ETJ IM5 15.5963
181 5LGD PLM 15.6463
182 3GZ9 D32 15.6463
183 4XU6 TDA 15.7143
184 2X4T ASN LEU VAL PRW MET VAL ALA THR VAL 16
185 4M4Q 21A 16.0714
186 4GBD MCF 16.0714
187 3COW 52H 16.0714
188 4CYI ATP 16.0714
189 5W7U GY8 16.0714
190 3JZB 4HY 16.0714
191 6BMM OLB 16.0714
192 3ZCB ATP 16.129
193 5WL1 D3D 16.1616
194 4U03 TLL 16.3265
195 4U03 GTP 16.3265
196 2WUF KEM 16.4384
197 5TVI MYR 16.4384
198 3QCP FAD 16.4384
199 2D5Z L35 16.4384
200 2ZFZ ARG 16.4557
201 3ZLR X0B 16.4706
202 4GU5 FAD 16.4706
203 5A8E XTK 16.4706
204 3OJI PYV 16.5138
205 4DS8 A8S 16.5138
206 4F06 PHB 16.5138
207 5DKK FMN 16.5517
208 3T03 3T0 16.6667
209 3N7H DE3 16.8
210 5C9J STE 16.9492
211 2UW1 GVM 16.9492
212 4ELG 52J 16.9492
213 5C9J DAO 16.9492
214 5K52 OCD 17.0213
215 4RC8 STE 17.0213
216 1ZC3 GNP 17.0213
217 1JAY F42 17.0213
218 3VPC ADP 17.0213
219 3T0X DIW 17.0732
220 4XDA ADP 17.3469
221 5CSD ACD 17.3469
222 1ZGA HMK 17.3469
223 3WQM B29 17.3913
224 4RPL 3UC 17.3913
225 4RPL FAD 17.3913
226 1ELU PDA 17.3913
227 1M48 FRG 17.3913
228 6BQC LOP 17.3913
229 1FCH TYR GLN SER LYS LEU 17.4312
230 3NHT U46 17.4312
231 4H07 IPH 17.4312
232 4OIV XX9 17.4312
233 3OKI OKI 17.4312
234 3O01 DXC 17.4312
235 5WKC PXD 17.4312
236 5ICK FEZ 17.4312
237 1P3D ANP 17.4312
238 4OMJ 2TX 17.4312
239 5KD8 TNR 17.6471
240 4OPC PGT 17.6471
241 4INB 1F6 17.6471
242 5MOB A8S 17.6471
243 4WUJ FMN 17.6471
244 3HDY FAD 17.6471
245 3HDY GDU 17.6471
246 3MPI GRA 17.6471
247 2WKQ FMN 17.6471
248 5OVC ACE GLU ALA GLN THR ARG LEU 17.7083
249 5YZC 95C 17.8082
250 4AG8 AXI 17.8082
251 3WCA FPS 17.8571
252 1N5S ADL 17.8571
253 3SFI 3SF 17.8571
254 4WW8 VD9 17.8571
255 1LSH PLD 17.8571
256 3GXO MQA 17.8571
257 2PRG BRL 18.1818
258 3ZQE DXC 18.3486
259 3ETG GWD 18.3673
260 5K53 STE 18.3673
261 3RHZ UDP 18.3673
262 4OYA 1VE 18.3673
263 3ETG GTP 18.3673
264 4R38 RBF 18.3673
265 3R9C ECL 18.3673
266 6D6L FY4 18.3673
267 4F4S EFO 18.4211
268 4Y30 SAH 18.6441
269 4PYW ACE THR THR ALA ILE NH2 18.6441
270 5CYV WCA 18.6441
271 1N8V BDD 18.8235
272 5ECP JAA 18.8235
273 4O4K 2PK 18.8235
274 4FC7 NAP 18.8235
275 4FC7 COA 18.8235
276 2D37 NAD 18.8235
277 1DQE BOM 18.9781
278 4LY9 S6P 19.1489
279 4LY9 1YY 19.1489
280 5ZM0 FAD 19.1489
281 5IKR ID8 19.1489
282 1KPG 16A 19.1489
283 5HGZ ACO 19.1489
284 3M6P BB2 19.1489
285 5L1O 7PF 19.1489
286 1RX0 2MC 19.1781
287 4BNU 9KQ 19.1781
288 4DJA DLZ 19.1781
289 4DJA FAD 19.1781
290 5F1R 42O 19.1781
291 4U0S ADP 19.1781
292 2FV5 541 19.1781
293 1TV5 FMN 19.1781
294 3IIS PID 19.2053
295 3V66 D3A 19.2661
296 1XM4 PIL 19.2661
297 1XMU ROF 19.2661
298 5EY0 GTP 19.2661
299 6C5B SAH 19.2661
300 4IS0 1R4 19.3878
301 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 19.3878
302 3L9R L9R 19.3878
303 3L9R L9Q 19.3878
304 1YMT DR9 19.5652
305 2Q2Y ADP 19.5652
306 2Q2Y MKR 19.5652
307 1YP0 PEF 19.5652
308 2JC9 ADN 19.5652
309 5GUE GGS 19.5652
310 2J1P GRG 19.5652
311 6F70 GSH 19.5652
312 4J7Q B7N 19.5652
313 6BMS POV 19.5652
314 2EI4 22B 19.5652
315 1IYK MYA 19.5652
316 6BMS PLM 19.5652
317 5Y79 3PG 19.5652
318 4A22 TD4 19.5652
319 3GWN FAD 19.5652
320 6GG9 FMN 19.5652
321 2RKN LP3 19.5652
322 5GQF GAL NAG 19.6429
323 1LN1 DLP 19.6429
324 5WIU AQD 19.6429
325 1U3D FAD 19.6429
326 4QHP 32Q 19.7279
327 5K7H IVC 20
328 4PXZ 6AD 20
329 2Z6D FMN 20
330 1NP7 FAD 20
331 4U8P UDP 20
332 4U8P FDA 20
333 3ABA FLI 20
334 6A5Y 9CR 20.1835
335 4POJ 2VP 20.1835
336 3H0A 9RA 20.1835
337 3M31 FAD 20.1835
338 4QVH COA 20.1835
339 2OO8 RAJ 20.339
340 3LXK MI1 20.339
341 3HYW DCQ 20.4082
342 1KUK PCA LYS TRP 20.4082
343 2XXP DSL 20.5479
344 4OHU 2TK 20.5479
345 4OHU NAD 20.5479
346 1YRE COA 20.5479
347 4JKV 1KS 20.5479
348 2VL8 UDP 20.5479
349 2VL8 CTS 20.5479
350 4TMC HBA 20.5479
351 4TMC FMN 20.5479
352 2Q1H AS4 20.7048
353 3RY9 1CA 20.7048
354 3K9W 4PS 21.1009
355 3K9W ADE 21.1009
356 1DKF BMS 21.1765
357 1DKF OLA 21.1765
358 3TL1 JRO 21.1765
359 5K13 6Q7 21.1765
360 1I7L ATP 21.1765
361 3CEV ARG 21.1765
362 3I51 6PL 21.2766
363 4M73 M72 21.2766
364 3AQT RCO 21.2766
365 4M73 SAH 21.2766
366 6A0S NDP 21.2766
367 4RLT FSE 21.2766
368 4V24 GYR 21.2766
369 4KIB SAH 21.2766
370 3QWI CUE 21.2766
371 2C78 PUL 21.4286
372 3QP4 HL0 21.4286
373 3QP8 HL0 21.4286
374 5EHR 5OD 21.4286
375 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 21.4286
376 6FS0 E4W 21.4286
377 5Z1N PEF 21.4286
378 5J47 6JJ 21.4286
379 1XW6 GSH 21.4286
380 2PFC PLM 21.4286
381 3L9W AMP 21.4286
382 3L9W GSH 21.4286
383 5AE2 FYC 21.4286
384 5AE2 FAD 21.4286
385 1LFD GNP 21.5569
386 3SCM LGN 21.7391
387 5W7D PX8 21.7391
388 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 21.7391
389 3SDV 911 21.7391
390 4DXJ 0M9 21.7391
391 4M0R 644 21.7391
392 2Z6C FMN 21.7391
393 3NMV PYV 21.7391
394 6EOP F15 21.7391
395 4TMK T5A 21.9178
396 3T31 DCQ 21.9178
397 5V3Y 5V8 21.9178
398 5OLK DTP 21.9178
399 4DW4 U5P 22.0183
400 3Q8G PEE 22.0339
401 5J6A P46 22.0339
402 3T50 FMN 22.0339
403 3KPX CZH 22.3529
404 3E2M E2M 22.3529
405 3DZT EAH 22.3529
406 4CSV STI 22.3529
407 1W2Y DUN 22.3529
408 6C7D EOJ 22.449
409 1Q19 SSC 22.449
410 2PR5 FMN 22.449
411 5V4R MGT 22.8395
412 4F7E 0SH 22.9358
413 1FO3 KIF 22.9358
414 5V13 JH3 23.2143
415 1T27 PCW 23.2143
416 4MGB XDH 23.2143
417 1U72 NDP 23.2143
418 1U72 MTX 23.2143
419 4QWT ACD 23.2143
420 2QZO KN1 23.2143
421 3UUA 0CZ 23.2143
422 5DF1 58X 23.2143
423 5DF1 NAP 23.2143
424 4TUZ 36J 23.2143
425 4MG8 27J 23.2143
426 4MG7 27H 23.2143
427 5DX3 EST 23.2143
428 5WGD EST 23.2143
429 5DXE EST 23.2143
430 3UUD EST 23.2143
431 4MG9 27K 23.2143
432 5HYR EST 23.2143
433 4TV1 36M 23.2143
434 4MGD 27N 23.2143
435 5DXG EST 23.2143
436 5WGQ EST 23.2143
437 4MGA 27L 23.2143
438 4IGH ORO 23.2877
439 4IGH 1EA 23.2877
440 4IGH FMN 23.2877
441 3RUG DB6 23.2877
442 3KFC 61X 23.2877
443 1N1G BCP 23.4043
444 3N7S 3N7 23.4043
445 5MWE TCE 23.4043
446 4WKI 3PW 23.4043
447 5K7K 6RJ 23.4694
448 3QLM PLM 23.4694
449 2BVL GLC 23.4694
450 2BVL UDP 23.4694
451 4E2J MOF 23.5294
452 5UFS 1TA 23.5294
453 1GHE ACO 23.5294
454 1SO2 666 23.5294
455 6BR9 6OU 23.7288
456 5E7V M7E 23.7288
457 5AZC PGT 23.7288
458 6FHO FAD 23.7288
459 5DJT FMN 23.7288
460 6BR8 6OU 23.7288
461 5JSD ACY 1GN GAL 1GN BGC ACY GAL BGC 23.8532
462 1XE7 GUN 23.8532
463 3AI3 SOE 23.8532
464 5MBC FMN 23.913
465 2YNE NHW 23.913
466 2YNE YNE 23.913
467 3TKY SAH 23.913
468 3TKY N7I 23.913
469 5O42 BGC 23.913
470 5O42 9JW 23.913
471 5O42 NAD 23.913
472 2C43 COA 23.913
473 1XKV ATP 23.913
474 2VHW NAI 23.913
475 3A51 VDY 23.913
476 1FM9 9CR 24
477 1FM9 570 24
478 1RDT L79 24
479 1RDT 570 24
480 3IPQ 965 24
481 3BEJ MUF 24
482 4DM8 REA 24
483 1UVC STE 24.1758
484 2FKW RG1 24.3902
485 3QCJ NX4 24.4898
486 3C3N FMN 24.4898
487 1GNI OLA 24.6575
488 4Q86 AMP 24.6575
489 4NMC 2OP 24.6575
490 4NMC FAD 24.6575
491 3ZS7 ATP 24.6575
492 2XFH CL6 24.7059
493 6AYH C3G 24.7059
494 5UNJ RJW 24.7059
495 6BA2 7KM 24.7059
496 4ZGM 32M 24.7059
497 3LN0 52B 24.7706
498 4B7P 9UN 24.7706
499 5AAV GW5 25
500 4I67 G G G RPC 25
501 2QE4 JJ3 25
502 2E3N 6CM 25
503 1TMX HGX 25
504 4UNR QZE 25
505 4JD3 PLM 25.1701
506 4JD3 COA 25.1701
507 2HKJ RDC 25.4237
508 3OTH CLJ 25.4237
509 6ADI 9UO 25.4237
510 3ZKI WZV 25.4237
511 1BUC CAA 25.5319
512 4ANP 3QI 25.5319
513 2O07 SPD 25.5319
514 2VDY HCY 25.5319
515 2O07 MTA 25.5319
516 5TO8 7FM 25.6881
517 2Z7I 742 25.8503
518 3F5K CE5 25.8824
519 4WQ2 3SU 26.0274
520 1SR7 MOF 26.087
521 4OAR 2S0 26.087
522 5ZKC 3C0 26.087
523 3WV1 WHH 26.087
524 5HGR 45D 26.087
525 5MU6 KFK 26.087
526 5MU6 MYA 26.087
527 5LUN ARG 26.087
528 5LUN OGA 26.087
529 1N9L FMN 26.087
530 5B25 4QJ 26.087
531 2BCG GER 26.5306
532 2XN3 ID8 26.6055
533 2XN5 FUN 26.6055
534 3P5P A3C 26.6055
535 5B4B LP5 26.7857
536 2J8C SPO 26.7857
537 2J8C U10 26.7857
538 3PMD 11A 26.7857
539 5LPA ATP 26.7857
540 5LPA 71R 26.7857
541 3ANP DCC 27.0588
542 3GQT UFO 27.0588
543 2AMV BIN 27.0588
544 2QJY SMA 27.0588
545 3ANP DAO 27.0588
546 5X8I SQZ 27.0588
547 5M37 9SZ 27.1186
548 2CNT COA 27.1186
549 1VLH PNS 27.3973
550 1JQI CAA 27.5229
551 3G5N PB2 27.5229
552 3RLF MAL 27.5229
553 4NB5 2JT 27.551
554 1ZPD CIT 27.6596
555 2XRH NIO 27.6596
556 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 27.6596
557 2B4D COA 27.6596
558 2O4J VD4 27.6596
559 5XPL 8C9 27.6596
560 5KOK R9T 27.8912
561 1FK5 OLA 27.957
562 3I9L N1C 28.2353
563 3STD MQ0 28.2353
564 4YDQ HFG 28.2609
565 4YDQ ANP 28.2609
566 4JHG ZEA 28.2609
567 1SAY PYR 28.4404
568 2AX9 BHM 28.5714
569 3V49 PK0 28.5714
570 3VHZ L2P GLC MAN SGA 28.5714
571 1DJN FMN 28.5714
572 1XVB 3BR 28.8136
573 3RDE OYP 28.8136
574 4TWP AXI 29.4118
575 1OX5 1PR 29.4118
576 1OPK P16 29.5918
577 4OKZ 3E9 29.5918
578 2YB9 HA0 29.5918
579 5AHS COA 29.7872
580 6F68 GSH 29.7872
581 6F68 4EU 29.7872
582 2VJ8 HA2 29.7872
583 3HR1 PF9 29.7872
584 3ZCN ATP 29.7872
585 1JQD HSM 29.7872
586 3F3E LEU 29.7872
587 2PX8 MGT 30.3571
588 1LLF F23 30.3571
589 3T6E MQ9 30.3571
590 1DMH LIO 30.3571
591 4OCJ NDG 30.3571
592 1TPY 16A 30.3571
593 5X5M 7YU 30.4348
594 2IYA ZIO 30.4348
595 3CXH SMA 30.4348
596 2YPO PHE 30.5085
597 2YG2 S1P 30.5085
598 2YG2 FLC 30.5085
599 4XRQ 1B0 30.5085
600 4QJL COA 30.5085
601 4O1Z MXM 30.5882
602 6EIZ FOH 31.25
603 3X1M COA 31.5068
604 4AIG FLX 31.5068
605 5CXI 5TW 31.5068
606 5ZBL AMP 31.9149
607 5VRH OLB 31.9149
608 2E9L BGC 32.1429
609 2E9L OLA 32.1429
610 2E9L PLM 32.1429
611 2A1L PCW 32.1429
612 5IM3 DTP 32.2034
613 4G8R 96P 32.2034
614 6C1R EFD 32.6087
615 1M5B BN1 32.6087
616 6CAY ERG 32.6087
617 3P9T TCL 32.8767
618 4C2X NHW 32.8767
619 2DSA GSH 32.8767
620 2DSA HPX 32.8767
621 5MT9 ARG 33.3333
622 5MT9 SRO 33.3333
623 3DCT 064 33.3333
624 6D5L FW7 33.8983
625 6D5E FVG 33.8983
626 6D5M FW4 33.8983
627 6D55 FWA 33.8983
628 4JZX 476 33.8983
629 6FTB M0E 33.8983
630 4URX FK1 33.8983
631 6D59 FVJ 33.8983
632 6D56 FVM 33.8983
633 6D5H FV7 33.8983
634 6BVI EC4 33.8983
635 6D5G FVD 33.8983
636 6BVJ EAS 33.8983
637 6BVL EBY 33.8983
638 6BVK EAV 33.8983
639 6BVM EBV 33.8983
640 3RMK BML 33.9286
641 2BIF BOG 34.0426
642 2IBZ UQ6 34.0426
643 2BIF SIN 34.0426
644 4ETZ C2E 34.0426
645 3SQG TP7 34.0426
646 1EZV SMA 34.0426
647 3G6K POP 34.1176
648 3G6K FAD 34.1176
649 5M36 9SZ 34.2105
650 3BQD DAY 34.2466
651 5G5W R8C 34.2466
652 1NHZ 486 34.2466
653 4LSJ LSJ 34.2466
654 4P6X HCY 34.2466
655 4UWJ MYA 34.2466
656 4UWJ 7L5 34.2466
657 4P6W MOF 34.2466
658 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 34.7826
659 6F6E PLM 34.7826
660 4TQ3 GPP 34.7826
661 4YSX EPH 35.1064
662 2HW2 RFP 35.5932
663 4XPL ACO 35.6164
664 4V1T ADP 35.7143
665 4ZW3 4S9 35.7143
666 3WYJ H78 36.1702
667 1W96 S1A 36.1702
668 3HP9 CF1 36.1702
669 2BJ4 OHT 36.3636
670 5LXT GDP 36.7347
671 5LXT 7AK 36.7347
672 4I6G FAD 36.9565
673 1UAD GNP 36.9565
674 3JRX S1A 37.5
675 5KF6 FAD 37.5
676 5KF6 TFB 37.5
677 2EV1 OLA 37.7551
678 4OGQ 1O2 38.2353
679 4OGQ 7PH 38.2353
680 1LVK MNT BEF 38.2979
681 5LIA 6XN 38.9831
682 2GMH UQ5 39.1304
683 1JF0 CZH 39.2857
684 5MW4 5JU 40.4255
685 2ZXG S23 41.0714
686 2YJD YJD 41.3043
687 4J24 EST 41.3043
688 1YYE 196 41.3043
689 1U3R 338 41.3043
690 3OLL EST 41.3043
691 3PE2 E1B 42.8571
692 2A06 SMA 43.4783
693 4W97 UCA 47.9452
694 4J26 EST 50
Pocket No.: 4; Query (leader) PDB : 5W97; Ligand: CHD; Similar sites found with APoc: 223
This union binding pocket(no: 4) in the query (biounit: 5w97.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3V2Q PLM None
2 4O4Z N2O 8.16327
3 3UST FAD 8.25688
4 6CS9 PIO 9.7561
5 1LNX URI 9.87654
6 4EKQ NPO 10.2041
7 2Q4V ACO 10.6383
8 2CB8 MYA 10.7143
9 4I90 CHT 10.8844
10 4TMN 0PK 10.9589
11 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 10.9589
12 5N5U 7N8 11.0092
13 3V78 ET 11.0092
14 2P4Y C03 11.1111
15 1HFS L04 11.7647
16 5IUY BOG 11.7647
17 1W3R 2MN 11.8644
18 1D1G MTX 12.9252
19 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 12.9412
20 6AP6 TLF 12.9412
21 4E1M TQ2 13.0435
22 1T8U UAP SGN IDS SGN 13.0435
23 3KCC CMP 13.2653
24 3KDU NKS 13.5593
25 2P1C GG3 13.5593
26 2FN8 RIP 13.5593
27 4WZV E40 13.5593
28 3MQG UDP 13.6986
29 3MQG ACO 13.6986
30 3MQG U5P 13.6986
31 6BTN E8M 13.6986
32 6B5Q PPI CZS 2KY MLY 1XY 13.7615
33 5HZ7 MLR 14.1176
34 4IRL MTT 14.1176
35 2O1V ADP 14.2857
36 4QBK 3NZ 14.433
37 2V0U FMN 14.6789
38 2PSM BAM 14.876
39 4PLT NAI 14.966
40 5MN0 A8S 15.0685
41 3LSJ PLM COA 15.0685
42 4PGK Y69 15.2174
43 5C1M CLR 15.2174
44 1PZG A3D 15.2174
45 3EWK FAD 15.2174
46 1VHT BA3 15.2174
47 4WHZ 3NL 15.2174
48 5X80 SAL 15.2174
49 4X6F 3XU 15.2381
50 3LDW ZOL 15.2542
51 2Z9I GLY ALA THR VAL 15.2542
52 6G5J EM8 15.2542
53 5DCH 1YO 15.2941
54 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 15.2941
55 2CIG 1DG 15.3061
56 2ASF CIT 15.3285
57 2C4J GSO 15.5963
58 5D9J 0N8 16.0714
59 1VGV UD1 16.0714
60 2X24 X24 16.0714
61 3OTX AP5 16.0714
62 5WL1 CUY 16.1616
63 4B5P ACO 16.3265
64 1OWB NAD 16.3265
65 5BNS 4VM 16.3265
66 4R57 ACO 16.4384
67 6C28 WCA 16.6667
68 4ELG 52I 16.9492
69 1UOU CMU 16.9492
70 3UWB BB2 17.0213
71 4BXK 1IU 17.0213
72 3RV5 DXC 17.3913
73 1RJD SAM 17.3913
74 2R2L FPP 17.6471
75 4XIZ LPP 17.6871
76 2C29 DQH 17.6871
77 3QWB NDP 17.8082
78 3UR0 SVR 17.8082
79 5BQI 4UL 17.8571
80 5BQI GSH 17.8571
81 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 18.3486
82 3ETG NDP 18.3673
83 3ETG GLU 18.3673
84 3ICS COA 18.3673
85 3ICT COA 18.3673
86 3H78 BE2 18.3673
87 2HFK E4H 18.6441
88 1H16 COA 18.6441
89 2CIX CEJ 18.6441
90 2R75 01G 18.8235
91 4W4S B29 18.8235
92 5A07 GDP 18.8235
93 3C88 ARG ARG GLY CYS NH2 19.1489
94 4GFD 0YB 19.1489
95 1HBK COA 19.1489
96 5U97 PIT 19.1781
97 4X60 SFG 19.1781
98 4X60 3XV 19.1781
99 4MIB 28M 19.3833
100 4LPG 1MV 19.5652
101 3SHZ 5CO 19.5652
102 3BJC WAN 19.5652
103 3P7N FMN 19.5652
104 6B21 C9V 19.6429
105 4MRV HGD 19.6429
106 4MRP GSH 19.6429
107 4MRS GDS 19.6429
108 1IID NHM 20
109 5XJ7 87O 20
110 5UIJ TYD 20
111 6ANV MTT 20.1835
112 3HST MLR 20.1835
113 6A5Y 9R0 20.1835
114 4Y9J UCC 20.339
115 2J4D FAD 20.339
116 3B9Z CO2 20.339
117 4CDN FAD 20.4082
118 4LH7 NMN 20.5479
119 6CGN DA 20.5479
120 4R29 SAM 20.9821
121 1Z3C SA8 21.1765
122 2WZG UPG 21.2766
123 4CL6 7SB 21.2766
124 6FQZ 6PG 21.2766
125 3GFZ FMN 21.2766
126 1Y7I SAL 21.2766
127 2J83 BAT 21.4286
128 3ZJ0 ACO 21.4286
129 2WSA MYA 21.4286
130 2WSA 646 21.4286
131 5YEE LAB 21.4286
132 5OCA 9QZ 21.4286
133 4B1X LAB 21.4286
134 5ZZA LAB 21.4286
135 5ZZB LAB 21.4286
136 6GBV FMN 21.4286
137 3QFJ