Interaction between Cytochrome c (4nfg_B) and Cytochrome c peroxidase, mitochondrial (4nfg_A)
PDB and SCOP data
PDB ID: 4nfg (all binary interactions in this PDB entry)
Title: K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex
Release date: 2014-09-24
Resolution: 2.1 Å
Structural properties
Hetero-dimer interface properties
Buried interface area: 560.70 Å2
Number of inter-residue contacts at the interface: 42
Number of H-bonds: 4
Number of salt bridges: 2
Experimental structure
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Pairwise interaction
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Biological assembly
Heteromer, 2 proteins, 2 domains.
Interface structure modeling
Residues at the interaction interface
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Interface residues in 4nfg_B
No. Residue no. in structure Residue no. in sequence Residue name Buried ASA, Å2 Buried ASA, % 1 5 5 K 22.3 20.5 % 2 8 8 K 45.5 36.4 % 3 9 9 I 20.2 100.0 % 4 12 12 Q 47.4 42.6 % 5 13 13 R 61.6 76.4 % 6 16 16 Q 47.3 47.7 % 7 17 17 C 6.8 100.0 % 8 28 28 T 12.2 14.3 % 9 70 70 N 9.1 32.6 % 10 72 72 K 40.0 30.8 % 11 81 81 I 58.8 45.5 % 12 82 82 F 10.0 33.7 % 13 83 83 A 45.8 57.4 % 14 85 85 I 1.6 99.6 % 15 86 86 K 36.8 31.3 % 16 87 87 K 66.0 52.6 % 17 90 90 E 29.2 75.5 %
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Interface residues in 4nfg_A
No. Residue no. in structure Residue no. in sequence Residue name Buried ASA, Å2 Buried ASA, % 1 31 31 R 38.5 30.4 % 2 32 32 E 30.9 22.8 % 3 33 33 D 0.6 1.4 % 4 34 34 D 51.9 73.8 % 5 35 35 E 22.0 17.7 % 6 38 38 N 56.6 43.4 % 7 39 39 Y 117.3 91.1 % 8 118 118 E 0.6 1.4 % 9 119 119 M 0.6 5.4 % 10 120 120 Q 44.0 39.2 % 11 193 193 A 37.3 89.8 % 12 194 194 A 22.9 79.6 % 13 195 195 N 8.4 25.4 % 14 196 196 N 27.5 46.6 % 15 197 197 V 39.3 82.6 % 16 199 199 T 17.8 53.1 % 17 229 229 Y 21.4 54.5 % 18 290 290 E 23.1 15.8 %
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 | 5 | K | 35 | 35 | E | 9.5 | |
2 | 5 | 5 | K | 39 | 39 | Y | 12.8 | |
3 | 8 | 8 | K | 35 | 35 | E | <0.1 | |
4 | 8 | 8 | K | 38 | 38 | N | 19.5 | H-bond |
5 | 8 | 8 | K | 39 | 39 | Y | 26.0 | |
6 | 9 | 9 | I | 39 | 39 | Y | 20.2 | |
7 | 12 | 12 | Q | 38 | 38 | N | 37.1 | |
8 | 12 | 12 | Q | 39 | 39 | Y | 9.4 | |
9 | 12 | 12 | Q | 195 | 195 | N | 0.9 | |
10 | 13 | 13 | R | 34 | 34 | D | 15.2 | Salt bridge |
11 | 13 | 13 | R | 39 | 39 | Y | 34.3 | |
12 | 13 | 13 | R | 196 | 196 | N | 12.1 | |
13 | 16 | 16 | Q | 193 | 193 | A | 26.4 | H-bond |
14 | 16 | 16 | Q | 195 | 195 | N | 7.5 | |
15 | 16 | 16 | Q | 229 | 229 | Y | 13.3 | |
16 | 17 | 17 | C | 193 | 193 | A | 6.8 | |
17 | 28 | 28 | T | 193 | 193 | A | 4.1 | |
18 | 28 | 28 | T | 229 | 229 | Y | 8.1 | |
19 | 70 | 70 | N | 290 | 290 | E | 9.1 | |
20 | 72 | 72 | K | 120 | 120 | Q | 26.0 | |
21 | 72 | 72 | K | 290 | 290 | E | 14.0 | |
22 | 81 | 81 | I | 194 | 194 | A | 22.9 | |
23 | 81 | 81 | I | 197 | 197 | V | 18.1 | |
24 | 81 | 81 | I | 199 | 199 | T | 17.8 | |
25 | 82 | 82 | F | 196 | 196 | N | 3.4 | |
26 | 82 | 82 | F | 197 | 197 | V | 6.6 | |
27 | 83 | 83 | A | 118 | 118 | E | 0.6 | |
28 | 83 | 83 | A | 119 | 119 | M | 0.6 | |
29 | 83 | 83 | A | 120 | 120 | Q | 17.9 | |
30 | 83 | 83 | A | 196 | 196 | N | 12.1 | |
31 | 83 | 83 | A | 197 | 197 | V | 14.6 | |
32 | 85 | 85 | I | 34 | 34 | D | 1.6 | |
33 | 86 | 86 | K | 31 | 31 | R | 35.3 | |
34 | 86 | 86 | K | 34 | 34 | D | 1.5 | |
35 | 87 | 87 | K | 31 | 31 | R | 3.2 | |
36 | 87 | 87 | K | 32 | 32 | E | 30.9 | H-bond |
37 | 87 | 87 | K | 33 | 33 | D | 0.6 | |
38 | 87 | 87 | K | 34 | 34 | D | 20.2 | H-bond, Salt bridge |
39 | 87 | 87 | K | 35 | 35 | E | 11.1 | |
40 | 90 | 90 | E | 34 | 34 | D | 13.4 | |
41 | 90 | 90 | E | 35 | 35 | E | 1.4 | |
42 | 90 | 90 | E | 39 | 39 | Y | 14.5 |
Ligands at the interaction interface
Chain | Protein | Residue no. | Ligand name | Contact area with same domain | Contact area with other domain |
---|---|---|---|---|---|
A | 4nfg_B | 201 | HEC | 633.8 | 24.4 |
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: 4nfg_B; Cytochrome c
Alignment data:
Expectation value = 5.53e-43, Score = 139 bits (348),
Identities = 62% (63/101), Positive = 75% (76/101), Gaps = 0% (0/101).
Interface alignment data:
Interface residues in alignment: 100% (17/17).
Identities = 53% (9/17), Positive = 71% (12/17), Gaps = 0% (0/17).
Query: 7 GSAKKGATLFKTRCLQCHTVEKGGPHKVGPNLHGIFGRHSGQAEGYSYTDANIKKNVLWD 66
G +KG +F RC QCHTVEKGG +K GPNL+G+FGR +GQA G++YTDAN K + W
4nfg_B: 1 GDVEKGKKIFVQRCAQCHTVEKGGKNKTGPNLNGLFGRKTGQAPGFTYTDANKNKGITWK 60
dssp: --HHHHHHHHHHH-------------------------E----------HHHH----E--
Query: 67 ENNMSEYLTNPKKYIPGTKMAFGGLKKEKDRNDLITYLKKA 107
E + EYL NPKKYIPGTKM F G+KK+ +R DLI YLKKA
4nfg_B: 61 EETLMEYLENPKKYIPGTKMIFAGIKKKTEREDLIAYLKKA 101
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: 4nfg_A; Cytochrome c peroxidase, mitochondrial
Alignment data:
Expectation value = 0, Score = 606 bits (1561),
Identities = 100% (290/291), Positive = 100% (290/291), Gaps = 0% (0/291).
Interface alignment data:
Interface residues in alignment: 100% (18/18).
Identities = 100% (18/18), Positive = 100% (18/18), Gaps = 0% (0/18).
Query: 71 LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHTSGTWDKHDNT 130
LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHTSGTWDKHDNT
4nfg_A: 4 LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHTSGTWDKHDNT 63
dssp: ---E--------HHHHHHHHHHHHHHHHH---HHHH---HHHHHHHHHHHH---E----E
Query: 131 GGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPK 190
GGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPK
4nfg_A: 64 GGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPK 123
dssp: ------HHH-HHHH--HHH---HHHHHHHHHHHHH-----HHHHHHHHHHHHHHH-----
Query: 191 IPWRCGRVDTPEDTTPDNGRLPDADKDADYVRTFFQRLNMNDREVVALMGAHALGKTHLK 250
IPWR GRVDTPEDTTPDNGRLPDADKDADYVRTFFQRLNMNDREVVALMGAHALGKTHLK
4nfg_A: 124 IPWRAGRVDTPEDTTPDNGRLPDADKDADYVRTFFQRLNMNDREVVALMGAHALGKTHLK 183
dssp: --E--------HHH-------------HHHHHHHHH-----HHHHHHHHHHHH--EE-HH
Query: 251 NSGYEGPWGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPK 310
NSGYEGPWGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPK
4nfg_A: 184 NSGYEGPWGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPK 243
dssp: HH---EE----------HHHHHHHH---EEEE-----EEEE-----EE-HHHHHHHH-HH
Query: 311 YLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL 361
YLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL
4nfg_A: 244 YLSIVKEYANDQDKFFKDFSKAFEKLLENGITFPKDAPSPFIFKTLEEQGL 294
dssp: HHHHHHHHHH-HHHHHHHHHHHHHHHHH---E--------E----------