5IHD - JenaLib

Title :   CALCIUM(II) AND COPPER(II) BOUND TO THE Z-DNA FORM OF D(CGCGCG), COMPLEXED BY L-LACTATE AND SUCCINATE

Authors :   M. Rohner, A. Medina-Molner, B. Spingler

Date :   29 Feb 16 (Deposition) - 29 Jun 16 (Release) - 13 Jul 16 (Revision)

Method :   X-RAY DIFFRACTION

Resolution :   1.57

Chains :   Asym. Unit : A,B,C,D
Biol. Unit 1: A,B  (1x)
Biol. Unit 2: C,D  (1x)

Keywords :   Z-Dna, Copper(Ii), Dna (Keyword Search: [Gene Ontology, PubMed, Web (Google)] )

Reference :   M. Rohner, A. Medina-Molner, B. Spingler
N, N, O And N, O, N Meridional Cis Coordination Of Two Guanines To Copper(Ii) By D(Cgcgcg)2.
Inorg. Chem. V. 55 6130 2016
PubMed-ID: 27266259 | Reference-DOI: 10.1021/ACS.INORGCHEM.6B00672

Compounds

Structural Features

Chains, Units

Ligands, Modified Residues, Ions (4, 9)

Asymmetric Unit (4, 9)

No.	Name	Count	Type	Full Name
1	2OP	2	Ligand/Ion	(2S)-2-HYDROXYPROPANOIC ACID
2	CA	2	Ligand/Ion	CALCIUM ION
3	CU	4	Ligand/Ion	COPPER (II) ION
4	SIN	1	Ligand/Ion	SUCCINIC ACID

Biological Unit 1 (1, 2)

No.	Name	Count	Type	Full Name
1	2OP	2	Ligand/Ion	(2S)-2-HYDROXYPROPANOIC ACID
2	CA	-1	Ligand/Ion	CALCIUM ION
3	CU	-1	Ligand/Ion	COPPER (II) ION
4	SIN	-1	Ligand/Ion	SUCCINIC ACID

Biological Unit 2 (1, 1)

No.	Name	Count	Type	Full Name
1	2OP	-1	Ligand/Ion	(2S)-2-HYDROXYPROPANOIC ACID
2	CA	-1	Ligand/Ion	CALCIUM ION
3	CU	-1	Ligand/Ion	COPPER (II) ION
4	SIN	1	Ligand/Ion	SUCCINIC ACID

Sites (9, 9)

Asymmetric Unit (9, 9)

No.	Name	Evidence	Residues	Description
1	AC1	SOFTWARE	DG A:2 , 2OP A:103 , DG D:2 , SIN D:101	binding site for residue CU A 101
2	AC2	SOFTWARE	DG A:2 , HOH A:222 , DG C:2	binding site for residue CA A 102
3	AC3	SOFTWARE	DG A:2 , CU A:101 , HOH A:207 , HOH A:220 , DC D:1 , DG D:2 , SIN D:101	binding site for residue 2OP A 103
4	AC4	SOFTWARE	DG B:2 , 2OP B:103 , DG C:2 , SIN D:101	binding site for residue CU B 101
5	AC5	SOFTWARE	DC B:5 , DG B:6 , HOH B:201 , HOH B:208 , HOH B:209 , DG D:6	binding site for residue CU B 102
6	AC6	SOFTWARE	DC B:1 , DG B:2 , CU B:101 , HOH B:207 , HOH B:220 , DC C:1 , DG C:2 , SIN D:101	binding site for residue 2OP B 103
7	AC7	SOFTWARE	DG C:4 , HOH C:219	binding site for residue CU C 101
8	AC8	SOFTWARE	DG A:2 , HOH A:212 , HOH A:228 , DG C:2 , HOH C:218 , HOH C:220	binding site for residue CA C 102
9	AC9	SOFTWARE	DG A:2 , DC A:3 , CU A:101 , 2OP A:103 , DG B:2 , DC B:3 , CU B:101 , 2OP B:103 , DG C:2 , DC C:3 , DG D:2 , DC D:3 , HOH D:214	binding site for residue SIN D 101

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 Unit

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Chain A from PDB  Type:DNA  Length:6
                                    
                   5ihd A 1 CGCGCG 6

Chain B from PDB  Type:DNA  Length:6
                                    
                   5ihd B 1 CGCGCG 6

Chain C from PDB  Type:DNA  Length:6
                                    
                   5ihd C 1 CGCGCG 6

Chain D from PDB  Type:DNA  Length:6
                                    
                   5ihd D 1 CGCGCG 6

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Classification and Annotation

SCOP Domains (0, 0)

CATH Domains (0, 0)

Pfam Domains (0, 0)

Gene Ontology (0, 0)

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