Interaction between Cytochrome c iso-1 (5cie_B) and Cytochrome c peroxidase, mitochondrial (5cie_A)
PDB and SCOP data
PDB ID: 5cie (all binary interactions in this PDB entry)
Title: Complex of yeast cytochrome c peroxidase (W191G) bound to aniline with iso-1 cytochrome c
Release date: 2016-08-03
Resolution: 2.6 Å
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Chain A: 5cie_B
Title: Cytochrome c iso-1
Source organism: Saccharomyces cerevisiae S288C
Number of residues: 108
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Chain B: 5cie_A
Title: Cytochrome c peroxidase, mitochondrial
Source organism: Saccharomyces cerevisiae S288C
Number of residues: 294
Structural properties
Hetero-dimer interface properties
Buried interface area: 524.62 Å2
Number of inter-residue contacts at the interface: 39
Number of H-bonds: 2
Number of salt bridges: 1
Experimental structure
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Pairwise interaction
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Biological assembly
Heteromer, 4 proteins.
Interface structure modeling
Residues at the interaction interface
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Interface residues in 5cie_B
No. Residue no. in structure Residue no. in sequence Residue name Buried ASA, Å2 Buried ASA, % 1 5 10 K 22.4 24.1 % 2 8 13 T 12.7 26.5 % 3 9 14 L 19.0 95.5 % 4 12 17 T 46.2 60.2 % 5 13 18 R 62.4 73.9 % 6 16 21 Q 31.8 34.2 % 7 17 22 C 9.6 100.0 % 8 28 33 V 24.1 27.5 % 9 70 75 N 17.6 55.2 % 10 71 76 P <0.1 2.3 % 11 72 77 K 57.3 40.2 % 12 73 78 K 0.6 0.4 % 13 81 86 A 47.6 69.4 % 14 82 87 F 28.2 83.1 % 15 83 88 G 33.0 54.7 % 16 86 91 K 57.0 46.5 % 17 87 92 K 39.5 29.9 % 18 90 95 D 15.5 52.2 %
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Interface residues in 5cie_A
No. Residue no. in structure Residue no. in sequence Residue name Buried ASA, Å2 Buried ASA, % 1 31 31 R 58.6 47.1 % 2 32 32 E 14.5 11.0 % 3 34 34 D 39.8 62.3 % 4 35 35 E 9.7 8.2 % 5 38 38 N 26.8 19.9 % 6 39 39 Y 100.0 82.1 % 7 120 120 Q 59.5 52.4 % 8 193 193 A 48.2 88.8 % 9 194 194 A 14.5 72.4 % 10 196 196 N 31.6 50.8 % 11 197 197 V 37.0 92.3 % 12 199 199 T 13.1 38.9 % 13 201 201 E 1.9 7.3 % 14 229 229 Y 15.3 38.5 % 15 290 290 E 44.2 34.3 % 16 294 294 L 9.8 8.5 %
Inter-residue contacts at the interaction interface
No. | Residue no. in chain A structure | Residue no. in chain A sequence | Residue in chain A | Residue no. in chain B structure | Residue no. in chain B sequence | Residue in chain B | Contact area, Å2 | Contact type |
---|---|---|---|---|---|---|---|---|
1 | 5 | 10 | K | 35 | 35 | E | 9.7 | |
2 | 5 | 10 | K | 39 | 39 | Y | 12.7 | |
3 | 8 | 13 | T | 39 | 39 | Y | 12.7 | |
4 | 9 | 14 | L | 39 | 39 | Y | 19.0 | |
5 | 12 | 17 | T | 38 | 38 | N | 26.8 | |
6 | 12 | 17 | T | 39 | 39 | Y | 19.4 | |
7 | 13 | 18 | R | 34 | 34 | D | 15.6 | |
8 | 13 | 18 | R | 39 | 39 | Y | 30.3 | |
9 | 13 | 18 | R | 196 | 196 | N | 16.4 | |
10 | 16 | 21 | Q | 193 | 193 | A | 27.8 | |
11 | 16 | 21 | Q | 229 | 229 | Y | 4.0 | |
12 | 17 | 22 | C | 193 | 193 | A | 9.6 | |
13 | 28 | 33 | V | 193 | 193 | A | 10.8 | |
14 | 28 | 33 | V | 201 | 201 | E | 1.9 | |
15 | 28 | 33 | V | 229 | 229 | Y | 11.3 | |
16 | 70 | 75 | N | 290 | 290 | E | 16.8 | |
17 | 70 | 75 | N | 294 | 294 | L | 0.9 | |
18 | 71 | 76 | P | 120 | 120 | Q | <0.1 | |
19 | 72 | 77 | K | 120 | 120 | Q | 30.5 | |
20 | 72 | 77 | K | 290 | 290 | E | 26.9 | H-bond, Salt bridge |
21 | 73 | 78 | K | 290 | 290 | E | 0.6 | |
22 | 81 | 86 | A | 120 | 120 | Q | 1.4 | |
23 | 81 | 86 | A | 194 | 194 | A | 14.5 | |
24 | 81 | 86 | A | 196 | 196 | N | 0.2 | |
25 | 81 | 86 | A | 197 | 197 | V | 18.2 | |
26 | 81 | 86 | A | 199 | 199 | T | 13.1 | |
27 | 82 | 87 | F | 120 | 120 | Q | 12.9 | H-bond |
28 | 82 | 87 | F | 196 | 196 | N | 5.5 | |
29 | 82 | 87 | F | 197 | 197 | V | 9.8 | |
30 | 83 | 88 | G | 120 | 120 | Q | 14.6 | |
31 | 83 | 88 | G | 196 | 196 | N | 9.4 | |
32 | 83 | 88 | G | 197 | 197 | V | 9.0 | |
33 | 86 | 91 | K | 31 | 31 | R | 48.1 | |
34 | 86 | 91 | K | 294 | 294 | L | 8.9 | |
35 | 87 | 92 | K | 31 | 31 | R | 10.5 | |
36 | 87 | 92 | K | 32 | 32 | E | 14.5 | |
37 | 87 | 92 | K | 34 | 34 | D | 14.5 | |
38 | 90 | 95 | D | 34 | 34 | D | 9.6 | |
39 | 90 | 95 | D | 39 | 39 | Y | 5.9 |
Ligands at the interaction interface
Chain | Protein | Residue no. | Ligand name | Contact area with same domain | Contact area with other domain |
---|---|---|---|---|---|
A | 5cie_B | 201 | HEM | 640.7 | 21.7 |
Sequence alignments
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Query protein: sp|P00044|CYC1_YEAST Cytochrome c iso-1 OS=Saccharomyces cerevisiae (strain ATCC 204508 / S288c) GN=CYC1 PE=1 SV=2
Result domain: 5cie_B; Cytochrome c iso-1
Alignment data:
Expectation value = 1.54e-77, Score = 226 bits (575),
Identities = 100% (108/108), Positive = 100% (108/108), Gaps = 0% (0/108).
Interface alignment data:
Interface residues in alignment: 100% (18/18).
Identities = 100% (18/18), Positive = 100% (18/18), Gaps = 0% (0/18).
Query: 2 TEFKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEGYSYTDANIKK 61
TEFKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEGYSYTDANIKK
5cie_B: 1 TEFKAGSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEGYSYTDANIKK 60
dssp: -------HHHHHHHHHHH------------------------------------HHHHHH
Query: 62 NVLWDENNMSEYLTNPKKYIPGTKMAFGGLKKEKDRNDLITYLKKACE 109
NVLWDENNMSEYLTNPKKYIPGTKMAFGGLKKEKDRNDLITYLKKACE
5cie_B: 61 NVLWDENNMSEYLTNPKKYIPGTKMAFGGLKKEKDRNDLITYLKKACE 108
dssp: -----HHHHHHHHH-HHHH-------------HHHHHHHHHHHHHH--
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Query protein: sp|P00431|CCPR_YEAST Cytochrome c peroxidase, mitochondrial OS=Saccharomyces cerevisiae (strain ATCC 204508 / S288c) GN=CCP1 PE=1 SV=2
Result domain: 5cie_A; Cytochrome c peroxidase, mitochondrial
Alignment data:
Expectation value = 0, Score = 607 bits (1564),
Identities = 99% (291/294), Positive = 99% (291/294), Gaps = 0% (0/294).
Interface alignment data:
Interface residues in alignment: 100% (16/16).
Identities = 100% (16/16), Positive = 100% (16/16), Gaps = 0% (0/16).
Query: 68 TTPLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHTSGTWDKH 127
TTPLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWH SGTWDKH
5cie_A: 1 TTPLVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHISGTWDKH 60
dssp: ------E--------HHHHHHHHHHHHHHHHH---HHHH---HHHHHHHHHHHH---E--
Query: 128 DNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQ 187
DNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQ
5cie_A: 61 DNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQ 120
dssp: --E----------HHHH--------HHHHHHHHHHHHH-----HHHHHHHHHHHHHHH--
Query: 188 GPKIPWRCGRVDTPEDTTPDNGRLPDADKDADYVRTFFQRLNMNDREVVALMGAHALGKT 247
GPKIPWRCGRVDTPEDTTPDNGRLPDADKDA YVRTFFQRLNMNDREVVALMGAHALGKT
5cie_A: 121 GPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGYVRTFFQRLNMNDREVVALMGAHALGKT 180
dssp: -----E--------HHH-------------HHHHHHHHH-----HHHHHHHHHHHH--EE
Query: 248 HLKNSGYEGPWGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQ 307
HLKNSGYEGP GAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQ
5cie_A: 181 HLKNSGYEGPGGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQ 240
dssp: --------EE----------HHHHHHHH--EEEEE-----EEEEE----EE-HHHH----
Query: 308 DPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL 361
DPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL
5cie_A: 241 DPKYLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL 294
dssp: -HHHHHHHHHHHH-HHHHHHHHHHHHHHHHH---E--------E----------