-->
Receptor
PDB id Resolution Class Description Source Keywords
3CM2 2.5 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF XIAP BIR3 DOMAIN IN COMPLEX WITH A SMAC-MIMETIC COMPOUND, SMAC010 HOMO SAPIENS ZINC-FINGER APOPTOSIS CYTOPLASM LIGASE METAL-BINDING PHOSPHOPROTEIN POLYMORPHISM PROTEASE INHIBITOR THIOL PROTEASE INHIBITOR UBL CONJUGATION UBL CONJUGATION PATHWAY
Ref.: TARGETING THE X-LINKED INHIBITOR OF APOPTOSIS PROTEIN THROUGH 4-SUBSTITUTED AZABICYCLO[5.3.0]ALKANE SMAC MIMETICS. STRUCTURE, ACTIVITY, AND RECOGNITION PRINCIPLES. J.MOL.BIOL. V. 384 673 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
X23 A:600;
B:600;
C:600;
D:600;
E:600;
F:600;
G:600;
H:600;
I:600;
J:600;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
ic50 = 970 nM
491.625 C28 H37 N5 O3 CC[C@...
ZN A:502;
B:502;
C:502;
D:502;
E:502;
F:502;
G:502;
H:502;
I:502;
J:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CM2 2.5 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF XIAP BIR3 DOMAIN IN COMPLEX WITH A SMAC-MIMETIC COMPOUND, SMAC010 HOMO SAPIENS ZINC-FINGER APOPTOSIS CYTOPLASM LIGASE METAL-BINDING PHOSPHOPROTEIN POLYMORPHISM PROTEASE INHIBITOR THIOL PROTEASE INHIBITOR UBL CONJUGATION UBL CONJUGATION PATHWAY
Ref.: TARGETING THE X-LINKED INHIBITOR OF APOPTOSIS PROTEIN THROUGH 4-SUBSTITUTED AZABICYCLO[5.3.0]ALKANE SMAC MIMETICS. STRUCTURE, ACTIVITY, AND RECOGNITION PRINCIPLES. J.MOL.BIOL. V. 384 673 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 3CM2 ic50 = 970 nM X23 C28 H37 N5 O3 CC[C@@H](C....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 5OQW ic50 < 40 nM A4E C30 H43 F N5 O3 C[C@@H]1CN....
2 6H6R - FUE C32 H36 F N5 O2 C[C@@H]1CN....
3 5M6E - 7HT C28 H37 N6 O Cc1cnn(c1)....
4 5M6F ic50 = 220 nM 7HU C25 H35 N4 O2 C[C@@H]1CN....
5 5M6M ic50 = 44 nM 7H8 C28 H38 N5 O2 C[C@@H]1CN....
6 5M6H ic50 = 150 nM 7J6 C28 H38 N5 O3 C[C@@H]1CN....
7 3HL5 - 9JZ C28 H38 N6 O3 C[C@H]1CCN....
8 2VSL Ki = 4 nM MAA LYS PRO PHE n/a n/a
9 1XB0 - ALA VAL PRO ILE ALA GLN LYS n/a n/a
10 3CM2 ic50 = 970 nM X23 C28 H37 N5 O3 CC[C@@H](C....
11 5C7A - 4YE C15 H22 N3 O C[C@@H]1CN....
12 5C3K ic50 = 110 uM 4XF C8 H13 N4 O C[C@@H](C(....
13 5C7D ic50 = 7.7 uM 4YF C14 H20 Cl N4 O C[C@@H]1CN....
14 5C83 ic50 = 0.16 uM 4YN C25 H35 N4 O2 C[C@@H]1CN....
15 5C84 ic50 = 0.64 uM 4YL C18 H28 Cl N4 O2 C[C@@H]1CN....
16 5C0K ic50 = 1200 uM 4WK C8 H18 N3 O2 C[C@@H](C(....
17 5C7C ic50 = 5.5 uM 4YC C17 H25 Cl N3 O C[C@@H]1CN....
50% Homology Family (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4KJU ic50 = 0.006 uM 1RH C32 H33 N5 O4 C[C@@H](C(....
2 4KJV ic50 = 0.018 uM 1RK C30 H33 N3 O7 C[C@@H](C(....
3 4J48 Ki = 2.41 uM ALA MET ARG VAL n/a n/a
4 4J45 Ki = 1.7 uM ALA THR ALA ALA n/a n/a
5 4J46 Ki = 5.24 uM ALA VAL PRO ILE n/a n/a
6 4J47 Ki = 12.02 uM SER VAL PRO ILE n/a n/a
7 4J44 Ki = 1.87 uM ALA ILE ALA VAL n/a n/a
8 4HY5 ic50 = 1.3 nM 1AQ C31 H45 F2 N5 O5 CCO[C@@H]1....
9 4MTI ic50 = 1.2 nM 2DX C30 H45 N5 O4 CC[C@@H](C....
10 4LGU ic50 = 28 nM 1YH C29 H43 N5 O4 C[C@@H](C(....
11 3F7G - 389 C27 H36 N4 O3 C[C@@H](C(....
12 3D9T Kd = 48 nM ALA THR PRO PHE GLN GLU n/a n/a
13 5M6N - 7H9 C29 H41 F N5 O2 C[C@@H]1CN....
14 5M6E - 7HT C28 H37 N6 O Cc1cnn(c1)....
15 5M6F ic50 = 220 nM 7HU C25 H35 N4 O2 C[C@@H]1CN....
16 5M6M ic50 = 44 nM 7H8 C28 H38 N5 O2 C[C@@H]1CN....
17 5M6H ic50 = 150 nM 7J6 C28 H38 N5 O3 C[C@@H]1CN....
18 3HL5 - 9JZ C28 H38 N6 O3 C[C@H]1CCN....
19 2VSL Ki = 4 nM MAA LYS PRO PHE n/a n/a
20 3GTA - 851 C29 H36 N4 O2 S C[C@@H](C(....
21 3GT9 - 516 C29 H36 N4 O2 S C[C@@H](C(....
22 2I3I Ki = 0.05 uM 618 C25 H32 N6 O3 S Cc1cc(n(n1....
23 3F7I - G13 C28 H38 N4 O3 C[C@@H](C(....
24 1XB0 - ALA VAL PRO ILE ALA GLN LYS n/a n/a
25 3CM2 ic50 = 970 nM X23 C28 H37 N5 O3 CC[C@@H](C....
26 4WVU ic50 = 1.97 uM MAA VAL 3V8 PHE HOX n/a n/a
27 4WVT ic50 = 4.87 uM MAA PHE PRO PHE PHE 3V7 n/a n/a
28 4WVS ic50 = 0.54 uM MAA LPH PRO PHE 4LZ n/a n/a
29 5C7A - 4YE C15 H22 N3 O C[C@@H]1CN....
30 5C3K ic50 = 110 uM 4XF C8 H13 N4 O C[C@@H](C(....
31 5C7D ic50 = 7.7 uM 4YF C14 H20 Cl N4 O C[C@@H]1CN....
32 5C83 ic50 = 0.16 uM 4YN C25 H35 N4 O2 C[C@@H]1CN....
33 5C84 ic50 = 0.64 uM 4YL C18 H28 Cl N4 O2 C[C@@H]1CN....
34 5C0K ic50 = 1200 uM 4WK C8 H18 N3 O2 C[C@@H](C(....
35 5C7C ic50 = 5.5 uM 4YC C17 H25 Cl N3 O C[C@@H]1CN....
36 3UW4 Ki = 0.017 uM MAA CHG PRO 0DQ n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: X23; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 X23 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 128
This union binding pocket(no: 1) in the query (biounit: 3cm2.bio8) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 2AG4 LP3 None
2 2AG4 OLA None
3 1S4M LUM None
4 3GZ8 APR None
5 1O44 852 None
6 6GNO XDI None
7 5HW4 SAM None
8 1VG8 GNP None
9 3ZZL TRP None
10 1H6H PIB None
11 5YGE ACO None
12 3EHG ATP None
13 6GPC ARG None
14 4O9S 2RY None
15 5L83 ASP TRP GLU ILE VAL 1.78571
16 5F6U 5VK 2.30769
17 3P2H NOO 2.30769
18 3E85 BSU 2.30769
19 2RHO GSP 2.46154
20 5XDT MB3 2.5974
21 3KYF 5GP 5GP 3.07692
22 2VBU CDP 3.07692
23 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 3.07692
24 3NEM AMO 3.07692
25 5FUI APY 3.07692
26 4Z87 GDP 3.84615
27 2RDE C2E 3.84615
28 5EJL C2E 3.84615
29 1PN4 HDC 3.84615
30 1SSQ CYS 3.84615
31 5UAV TFB 3.84615
32 5UAV NDP 3.84615
33 3MAG SAH 3.84615
34 3MCT SAH 3.84615
35 4EA7 JB2 3.84615
36 4EA7 COA 3.84615
37 3GC8 B45 3.84615
38 3A5Y KAA 3.84615
39 2OJW ADP 4.61538
40 2C78 PUL 4.61538
41 4RF7 ARG 4.61538
42 2XGT NSS 4.61538
43 4N14 WR7 4.61538
44 3A5Z KAA 4.61538
45 3VZ3 SSN 4.61538
46 1G51 AMO 4.61538
47 4J7H TRH 4.61538
48 1M5B BN1 5.38462
49 3TAY MN0 5.38462
50 3ACL 3F1 5.38462
51 1XOC VAL ASP SER LYS ASN THR SER SER TRP 5.38462
52 1HXD BTN 5.38462
53 4GID 0GH 5.38462
54 1JQ3 AAT 5.38462
55 5JJU AMP 5.38462
56 5I60 67W 6.15385
57 5N0J FAD 6.15385
58 6G9I CXX 6.15385
59 2DXU BT5 6.15385
60 1WPY BTN 6.15385
61 1HYH NAD 6.15385
62 5IUW IAC 6.15385
63 6GNA FAD 6.15385
64 6CB2 OLC 6.15385
65 1M15 ADP 6.15385
66 1M15 ARG 6.15385
67 5IUW NAD 6.15385
68 4GJ3 0XP 6.92308
69 4DXD GDP 6.92308
70 4F7E 0SH 6.92308
71 3WYJ H78 6.92308
72 4TWP AXI 6.92308
73 1N07 FMN 6.92308
74 4K5S PM0 6.92308
75 12AS AMP 6.92308
76 5H06 MAL 6.92308
77 2G30 ALA ALA PHE 7.69231
78 1BC5 ACE ASN TRP GLU THR PHE 7.69231
79 5EW9 5VC 7.69231
80 1NFS DED 7.69231
81 1LDN NAD 7.69231
82 1P3D UMA 7.69231
83 1P31 EPU 7.69231
84 5N2D 8J8 7.69231
85 3PE2 E1B 7.71513
86 5NIU 8YZ 7.8125
87 4M1U MBG A2G 8.46154
88 1I1D 16G 8.46154
89 5L13 6ZE 8.46154
90 5DQ8 FLF 8.46154
91 1VA6 ADP 8.46154
92 5C5H 4YB 8.46154
93 6C8X BVR 9.09091
94 3IES M24 9.23077
95 5KJW 53C 9.23077
96 4XTX 590 9.23077
97 3A7R LAQ 9.23077
98 1GPM AMP 10
99 2GU8 796 10
100 3H0L ADP 10
101 6EHH 2GE 10
102 4DS0 A2G GAL NAG FUC 11.5385
103 1X54 4AD 11.5385
104 1Q0S SAH 11.5385
105 3IWD M2T 11.7647
106 2VL1 GLY GLY 12.3077
107 2UX9 FMN 13.0435
108 1IID NHM 13.0769
109 2YNC YNC 13.0769
110 6FA4 D1W 13.8462
111 5OCG 9R5 13.8462
112 3OV6 MK0 13.8462
113 4RT1 C2E 14.2857
114 5TVA COA 14.6154
115 1GTE IUR 15.3846
116 1GTE FMN 15.3846
117 1ORR NAD 16.1538
118 5DX0 SFG 16.1538
119 4WO4 JLS 18
120 3HUJ AGH 18.1818
121 5Y4R C2E 18.4615
122 5XLY C2E 18.4615
123 5ALC TIQ 20.7692
124 1MWH GTG 22.3077
125 6CZ3 FLJ 26.1538
126 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 31.5789
127 3UEC ALA ARG TPO LYS 33.0769
128 4M38 SAH 38.0952
Pocket No.: 2; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 56
This union binding pocket(no: 2) in the query (biounit: 3cm2.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3TCT 3MI None
2 4LAE NAP None
3 4LAE 1VM None
4 3ZZQ TRP None
5 5AYT L6Y None
6 3F5O UOC COA None
7 4J6W CTP None
8 3KV8 FAH 1.53846
9 2CDU ADP 3.07692
10 4USI ATP 3.07692
11 5U3F 7TS 3.07692
12 3KYG 5GP 5GP 3.84615
13 1W5F G2P 3.84615
14 5N26 CPT 3.84615
15 2E56 MYR 4.61538
16 1GV0 NAD 4.61538
17 5EHZ 5NZ 4.61538
18 3RG9 NDP 4.61538
19 5YLT C7N 4.61538
20 1IYK MYA 4.61538
21 3X0K AR6 4.61538
22 3ZF8 GDP 4.61538
23 4CME KTZ 4.61538
24 2FY3 CHT 5.38462
25 5EKO N17 5.38462
26 5UBG PRT 5.38462
27 3H4L ANP 5.38462
28 3VC3 C6P 5.38462
29 4IGQ THR M3L GLN 6.15385
30 5MW4 5JU 6.15385
31 1XL8 OCB 6.15385
32 3EHH ADP 6.15385
33 6C0T EE4 6.92308
34 5JBE GLC GLC GLC GLC GLC 6.92308
35 1UPA TPP 6.92308
36 5NJI 8Z2 6.92308
37 5X3D 7XL 6.92308
38 2D5Z L35 7.69231
39 1RM6 FAD 7.69231
40 5F7N NAG GAL FUC FUC A2G 7.69231
41 1U72 MTX 8.46154
42 1U72 NDP 8.46154
43 5LRT ADP 8.46154
44 2QTZ FAD 8.46154
45 5J75 6GQ 9.23077
46 5UIU 8CG 9.23077
47 5LYH 7B8 9.23077
48 5V59 8X1 10
49 2VNF ALA ARG THR M3L GLN THR ALA ARG LYS SER 10
50 3NKS ACJ 10
51 4CS4 AXZ 10.7692
52 4CS4 ANP 10.7692
53 1GZ4 ATP 10.7692
54 4U9U FAD 17.6923
55 1HDR NAD 18.4615
56 3IQE F42 19.2308
Pocket No.: 3; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 37
This union binding pocket(no: 3) in the query (biounit: 3cm2.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4L3L 5FI None
2 2CM4 RCL None
3 5NNT DPV None
4 2YC5 6BC 3.07692
5 1DL5 SAH 3.07692
6 4YMH SAH 3.07692
7 1UYY BGC BGC 3.84615
8 5XVG 8FX 4.61538
9 1V25 ANP 4.61538
10 3VZ3 NAP 4.61538
11 4GAH 0ET 4.61538
12 4J7H TLO 4.61538
13 2I8T GDD 4.61538
14 3L9R L9Q 5.38462
15 3L9R L9R 5.38462
16 2FNA ADP 5.38462
17 5YRV 5AD 5.38462
18 6EV2 BGC 6.15385
19 4PZ2 NAD 6.15385
20 4PIV NDP 6.15385
21 1LSH PLD 6.15385
22 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 7.69231
23 1JG3 ADN 7.69231
24 4ONC 40B 7.69231
25 4CFP NAG AMU NAG AMV 7.69231
26 5N2F 8HW 8.06452
27 6C6O ENG 8.46154
28 1NB9 RBF 10
29 1NB9 ADP 10
30 3GDH SAH 10
31 1C4Q GLA GAL BGC 10.1449
32 1TT8 PHB 10.7692
33 1CLU DBG 13.8462
34 3NRZ FAD 14.6154
35 6B3V ANP 16.1538
36 4A0S NAP 17.6923
37 5JIC ADP 17.6923
Pocket No.: 4; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 26
This union binding pocket(no: 4) in the query (biounit: 3cm2.bio10) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4BG4 ADP 1.53846
2 4XUC SAM 3.84615
3 4XUC 43G 3.84615
4 3EFS BTN 3.86266
5 2GJ5 VD3 4.61538
6 2XVD AS6 4.61538
7 4AT3 LTI 4.61538
8 3ZNR NU9 4.61538
9 4KBA 1QM 5.38462
10 43CA NPO 5.98291
11 3DUW SAH 6.15385
12 4TXE 38F 6.92308
13 4B2Z P5S 6.92308
14 1KBI FMN 6.92308
15 1EB1 ZAL PRO MMO 6.92308
16 3AFN NAP 8.46154
17 4PYW ACE THR THR ALA ILE NH2 8.46154
18 4WNB 4BN 10
19 5ANU 58T 10.7692
20 2C91 NAP 11.5385
21 2YNE YNE 13.0769
22 2YNE NHW 13.0769
23 1FIQ FAD 14.6154
24 5WL1 CUY 18.1818
25 5WL1 D3D 18.1818
26 4PXL NAD 20.7692
Pocket No.: 5; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 34
This union binding pocket(no: 5) in the query (biounit: 3cm2.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3E5H GNP None
2 2UZH CDP None
3 4C2X NHW 1.53846
4 2PD4 DCN 2.30769
5 2PD4 NAD 2.30769
6 2WDB NAG MAN 3.07692
7 3FJO FAD 3.07692
8 6F3M NAD 3.84615
9 1OIX GDP 3.84615
10 1FP6 ADP 3.84615
11 4CRL C1I 4.61538
12 3RG9 WRA 4.61538
13 4KVG GTP 4.61538
14 3VEH 0GA 4.61538
15 3UWV 2PG 5.38462
16 3SBD GNP 5.38462
17 5TVJ 7LF 6.15385
18 5TVJ COA 6.15385
19 5Z2M GTP 6.92308
20 1KBI PYR 6.92308
21 2Q4V ACO 6.92308
22 5DK4 5BX 7.69231
23 5F7Y GLC GAL NAG GAL FUC A2G 7.69231
24 1I1D COA 8.46154
25 4KOT CE3 8.46154
26 3P3G 3P3 9.23077
27 3P3G UKW 9.23077
28 4GAA BES 10.7692
29 4OOE NDP 13.0769
30 3RYC GTP 13.8462
31 2C5L GTP 13.8462
32 1ZC3 GNP 15.3846
33 3GVL SLB SIA 16.1538
34 3ZV6 NAD 17.6923
Pocket No.: 6; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 13
This union binding pocket(no: 6) in the query (biounit: 3cm2.bio3) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4NS0 PIO None
2 4HVA 4HV 1.53846
3 4HWT 1B2 3.07692
4 6MPT C30 4.61538
5 6CDG PRO GLY LEU TRP LYS SER 5.38462
6 4RLE 2BA 5.98291
7 1D6H COA 6.92308
8 4GK9 MAN BMA MAN MAN MAN 6.92308
9 1USF NAP 7.69231
10 1XQP 8HG 10
11 6GW1 CHO 12.3077
12 5EYP GDP 13.8462
13 5EIB GTP 13.8462
Pocket No.: 7; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 17
This union binding pocket(no: 7) in the query (biounit: 3cm2.bio5) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2J7T 274 3.07692
2 4MNS 2AX 3.84615
3 3QXV MTX 3.96825
4 4QLX KTC 4.61538
5 2VVL FAD 4.61538
6 3LF0 ATP 5.26316
7 5UKL SIX 5.38462
8 5JGA 6KC 6.15385
9 2J9D ADP 6.72269
10 4YSW NAI 7.69231
11 4YSW FAD 7.69231
12 4XV1 904 7.69231
13 4ZY1 4U5 7.69231
14 2WSA MYA 13.0769
15 2WSA 646 13.0769
16 1TOI HCI 17.6923
17 1NLU IVA PHI TYB 29.2308
Pocket No.: 8; Query (leader) PDB : 3CM2; Ligand: X23; 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: 3cm2.bio5) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 3cm2.bio7) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 17
This union binding pocket(no: 10) in the query (biounit: 3cm2.bio14) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5KD6 6C7 3.84615
2 2Q28 ADP 3.84615
3 4A0M NAD 5.38462
4 2VG1 FPP 5.38462
5 3HAZ NAD 6.92308
6 2IHT TPP 6.92308
7 4HWS 1B3 7.69231
8 4CQE CQE 7.69231
9 6DZN AE3 7.69231
10 5F3I 5UJ 7.69231
11 4WHZ 3NL 8.46154
12 2D1S SLU 8.46154
13 5TVF CGQ 12.3077
14 1B7Y FYA 13.8462
15 6B3V 7DQ 16.1538
16 5JIC N7E 17.6923
17 2VAP GDP 19.2308
Pocket No.: 11; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 4
This union binding pocket(no: 11) in the query (biounit: 3cm2.bio15) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1HV9 UD1 3.84615
2 4XT8 NAP 5.38462
3 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 10.7692
4 3CZ7 ACO 13.0769
Pocket No.: 12; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 3cm2.bio9) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 3cm2.bio12) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 1
This union binding pocket(no: 14) in the query (biounit: 3cm2.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2RKV COA 2.30769
Pocket No.: 15; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: 4
This union binding pocket(no: 15) in the query (biounit: 3cm2.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3DLG GWE 4.61538
2 5X8G S0N 5.38462
3 2I7N ACO 6.92308
4 1VA6 P2S 8.46154
Pocket No.: 16; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 3cm2.bio4) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 3cm2.bio4) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 3cm2.bio13) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 3cm2.bio11) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 3CM2; Ligand: X23; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 3cm2.bio6) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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