5U5B - JenaLib

Title :   COILED COIL PEPTIDE METAL COORDINATION FRAMEWORK: TRIMER FOLD

Authors :   N. A. Tavenor, M. J. Murnin, W. S. Horne

Date :   06 Dec 16 (Deposition) - 22 Feb 17 (Release) - 22 Feb 17 (Revision)

Method :   X-RAY DIFFRACTION

Resolution :   2.40

Chains :   Asym./Biol. Unit : A,B,C

Keywords :   Designed Peptide, Synthetic, Metal Coordination Framework, Supramolecular Assembly, De Novo Protein (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )

Reference :   N. A. Tavenor, M. J. Murnin, W. S. Horne
Supramolecular Metal-Coordination Polymers, Nets, And Frameworks From Synthetic Coiled-Coil Peptides.
J. Am. Chem. Soc. V. 139 2212 2017
PubMed-ID: 28161945 | Reference-DOI: 10.1021/JACS.7B00651

Compounds

Structural Features

Chains, Units

Ligands, Modified Residues, Ions (5, 20)

Sites (19, 19)

Asymmetric Unit (19, 19)

No.	Name	Evidence	Residues	Description
01	AC1	SOFTWARE	7WJ A:3 , HOH A:208 , GLU B:1	binding site for residue CU A 101
02	AC2	SOFTWARE	7WJ A:25 , HOH B:208 , GLU C:22	binding site for residue CU A 102
03	AC3	SOFTWARE	LYS A:20 , ILE A:23 , LYS A:27	binding site for residue GOL A 104
04	AC4	SOFTWARE	7WJ B:3 , HOH B:210	binding site for residue CU B 101
05	AC5	SOFTWARE	HOH A:207 , GLU B:22 , 7WJ B:25	binding site for residue CU B 102
06	AC6	SOFTWARE	7WJ C:3 , 7WJ C:25 , HOH C:205 , HOH C:208	binding site for residue CU C 101
07	AC7	SOFTWARE	GLU A:22 , 7WJ C:25 , HOH C:205	binding site for residue CU C 102
08	AC8	SOFTWARE	7WJ A:3 , LYS A:6 , CU A:101 , ILE B:2 , 7WJ B:3 , ALA B:4 , ILE B:5	binding site for Di-peptide ACE B 0 and GLU B 1
09	AC9	SOFTWARE	ACE B:0 , GLU B:1 , ALA B:4 , ILE B:5 , LYS B:6 , LYS B:7 , CU B:101 , GLU C:1	binding site for Di-peptide ILE B 2 and 7WJ B 3
10	AD1	SOFTWARE	ACE B:0 , GLU B:1 , ILE B:2 , ILE B:5 , LYS B:6 , LYS B:7 , GLU B:8 , CU B:101	binding site for Di-peptide 7WJ B 3 and ALA B 4
11	AD2	SOFTWARE	LYS B:20 , LYS B:21 , GLU B:22 , ILE B:23 , ILE B:26 , LYS B:27 , LYS B:28 , NH2 B:29 , CU B:102 , HOH B:201 , HOH B:204	binding site for Di-peptide ALA B 24 and 7WJ B 25
12	AD3	SOFTWARE	LYS B:21 , GLU B:22 , ILE B:23 , ALA B:24 , LYS B:27 , LYS B:28 , NH2 B:29 , CU B:102 , HOH B:204	binding site for Di-peptide 7WJ B 25 and ILE B 26
13	AD4	SOFTWARE	ALA B:24 , 7WJ B:25 , ILE B:26 , LYS B:27	binding site for Di-peptide LYS B 28 and NH2 B 29
14	AD5	SOFTWARE	ILE B:2 , LYS B:6 , ILE C:2 , 7WJ C:3 , ALA C:4 , ILE C:5 , NH2 C:29	binding site for Di-peptide ACE C 0 and GLU C 1
15	AD6	SOFTWARE	ILE A:26 , ACE C:0 , GLU C:1 , ALA C:4 , ILE C:5 , LYS C:6 , LYS C:7 , ILE C:23 , 7WJ C:25 , ILE C:26 , CU C:101	binding site for Di-peptide ILE C 2 and 7WJ C 3
16	AD7	SOFTWARE	ILE A:26 , ACE C:0 , GLU C:1 , ILE C:2 , ILE C:5 , LYS C:6 , LYS C:7 , GLU C:8 , ILE C:23 , 7WJ C:25 , ILE C:26 , CU C:101	binding site for Di-peptide 7WJ C 3 and ALA C 4
17	AD8	SOFTWARE	GLU A:22 , 7WJ A:25 , 7WJ C:3 , LYS C:20 , LYS C:21 , GLU C:22 , ILE C:23 , ILE C:26 , LYS C:27 , CU C:101 , CU C:102 , HOH C:205	binding site for Di-peptide ALA C 24 and 7WJ C 25
18	AD9	SOFTWARE	GLU A:22 , 7WJ A:25 , 7WJ C:3 , LYS C:21 , GLU C:22 , ILE C:23 , ALA C:24 , LYS C:27 , CU C:101 , CU C:102 , HOH C:205	binding site for Di-peptide 7WJ C 25 and ILE C 26
19	AE1	SOFTWARE	ILE A:26 , LYS A:27 , ACE C:0 , LYS C:27	binding site for Di-peptide LYS C 28 and NH2 C 29

SS Bonds (0, 0)

Cis Peptide Bonds (0, 0)

Sequence-Structure Mapping

SAPs(SNPs)/Variants (0, 0)

PROSITE Motifs (0, 0)

Exons (0, 0)

Sequences/Alignments

Asymmetric/Biological Unit

Reformat:	Number of residues per line = ('0' or empty: single-line sequence representation)
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	UniProt sequence: complete aligned part

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Chain A from PDB  Type:PROTEIN  Length:30
                                                             
               SCOP domains ------------------------------ SCOP domains
               CATH domains ------------------------------ CATH domains
               Pfam domains ------------------------------ Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhhhhhhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) ------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------ PROSITE
                 Transcript ------------------------------ Transcript
                  5u5b A  0 xEIxAIKKEIEAIKKEIAEIKKEIAxIKKx 29
                            |  |     9        19     |  29
                            |  |                    25-7WJ
                            0-ACE                       29-NH2
                               3-7WJ

Chain B from PDB  Type:PROTEIN  Length:30
                                                             
               SCOP domains ------------------------------ SCOP domains
               CATH domains ------------------------------ CATH domains
               Pfam domains ------------------------------ Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhhhhhhhhhhhhhhhh. Sec.struct. author
                 SAPs(SNPs) ------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------ PROSITE
                 Transcript ------------------------------ Transcript
                  5u5b B  0 xEIxAIKKEIEAIKKEIAEIKKEIAxIKKx 29
                            |  |     9        19     |  29
                            |  |                    25-7WJ
                            0-ACE                       29-NH2
                               3-7WJ

Chain C from PDB  Type:PROTEIN  Length:30
                                                             
               SCOP domains ------------------------------ SCOP domains
               CATH domains ------------------------------ CATH domains
               Pfam domains ------------------------------ Pfam domains
         Sec.struct. author .hhhhhhhhhhhhhhhhhhhhhhhhhh... Sec.struct. author
                 SAPs(SNPs) ------------------------------ SAPs(SNPs)
                    PROSITE ------------------------------ PROSITE
                 Transcript ------------------------------ Transcript
                  5u5b C  0 xEIxAIKKEIEAIKKEIAEIKKEIAxIKKx 29
                            |  |     9        19     |  29
                            |  |                    25-7WJ
                            0-ACE                       29-NH2
                               3-7WJ

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Classification and Annotation

SCOP Domains (0, 0)

CATH Domains (0, 0)

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Gene Ontology (0, 0)

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