2OBY

crystal structure of human p53 inducible oxidoreductase (tp53i3,pig3)

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 113
  • Norm. En. per Res.: -4.4973
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-90.3812	-10.0172	-407.8	-508.1984	113	19	16	15377	3	13	17
A-C	-21.1598	3.9566	-99.1003	-116.3035	72	4	2	4788	4	11	14
A-D	-7.1721	0.0	-6.4753	-13.6474	13	1	0	457	0	5	2
A-E	-4.5294	-10.8005	-10.2255	-25.5555	22	0	0	474	2	12	11
B-C	0.0	0.0	-0.7525	-0.7525	7	0	0	98	0	1	1
B-D	-22.0157	-0.5908	-29.5292	-52.1358	22	3	0	1398	0	4	5
C-E	0.0	36.8565	-120.096	-83.2395	84	7	1	6035	0	20	14

Interface residues

• A-B: ARG234A, ARG234B, ARG258A, ARG258B, ARG267A, ARG267B, ARG269A, ARG269B, ASN225A, ASN225B, ASN247A, ASN247B, ASP215A, ASP215B, ASP232A, ASP232B, ASP245A, ASP245B, ASP270A, ASP270B, CYS216A, CYS216B, GLN130A, GLN130B, GLU223A, GLU223B, GLY218A, GLY218B, GLY219A, GLY219B, GLY233A, GLY233B, GLY239A, GLY239B, GLY242B, GLY243A, GLY243B, GLY244A, GLY244B, GLY248A, GLY248B, GLY259A, GLY259B, ILE217A, ILE217B, ILE246A, ILE246B, ILE262A, ILE262B, LEU131A, LEU131B, LEU229A, LEU231A, LEU231B, LEU237A, LEU237B, LEU240A, LEU240B, LEU250A, LEU250B, LEU254A, LEU254B, LEU255A, LEU255B, LEU261A, LEU261B, LEU265A, LEU265B, LEU266A, LEU266B, LYS253A, LYS253B, LYS257A, LYS257B, MET241B, MET45A, MET45B, PHE251A, PHE251B, PHE256A, PHE256B, PRO249A, PRO249B, SER220A, SER220B, SER252A, SER252B, SER260A, SER260B, SER264A, SER264B, SER268A, SER268B, THR263A, THR263B, TRP222A, TRP222B, TRP235A, TRP235B, TYR221A, TYR221B, TYR238A, TYR238B, TYR273A, TYR273B, TYR51A, TYR51B, VAL135A, VAL135B, VAL226A, VAL226B, VAL236A, VAL236B
• A-C: ALA140A, ALA164A, ALA166A, ALA181C, ALA186A, ALA186C, ALA187A, ALA187C, ALA188A, ALA188C, ALA208A, ARG162A, ARG162C, ARG296C, ASN211A, ASP142A, GLN139A, GLN159C, GLN175C, GLN179C, GLN295A, GLN295C, GLU182A, GLU182C, GLU199A, GLU292C, GLY141A, GLY165A, GLY165C, GLY185A, GLY185C, GLY189A, GLY189C, GLY207A, GLY209A, GLY293C, ILE158C, ILE167A, ILE167C, LEU169A, LEU169C, LEU178C, LEU184C, LEU202A, LEU297C, LEU298C, LYS183A, LYS183C, LYS194C, LYS203A, LYS203C, LYS206A, LYS206C, MET163A, MET163C, MET180C, PHE190C, PHE204A, PHE204C, PRO168A, PRO168C, PRO294A, PRO294C, SER198A, THR201A, THR205A, THR205C, TRP125C, TYR143A, TYR143C, VAL138A, VAL300C
• A-D: ALA21D, ASN247A, ASP245A, GLU19D, GLY248A, HIS5D, ILE246A, LYS18D, LYS22D, PRO23D, PRO249A, TRP222A, VAL20D
• A-E: ALA319E, ARG47E, ASN14E, ASN191A, GLN175A, GLN179A, GLN311E, GLU13E, GLU182A, GLU195A, GLU309E, GLY10E, GLY11E, GLY189A, LEU178A, LYS193A, LYS194A, LYS203A, LYS315E, LYS321E, PRO12E, THR308E
• B-C: ALA140C, ASN211C, ASP142C, ASP270B, GLN139C, GLY141C, LYS272B
• B-D: ALA21D, ASN247B, ASP245B, GLU19D, GLU223B, GLY219B, GLY248B, ILE-1D, ILE246B, LEU250B, LYS18D, LYS224B, LYS22D, LYS253B, MET1D, PRO0D, PRO23D, PRO249B, SER220B, SER24D, TRP222B, VAL20D
• C-E: ALA118E, ALA35C, ALA35E, ALA36C, ALA36E, ARG296C, ARG296E, ARG303C, ARG303E, ASP302C, ASP302E, GLN117C, GLN117E, GLN332C, GLN332E, GLN97C, GLN97E, GLU111C, GLU111E, GLU19C, GLU19E, GLU309C, GLU309E, GLU329C, GLU329E, GLY112C, GLY112E, GLY67C, GLY67E, GLY83C, GLY83E, HIS68C, HIS68E, ILE109C, ILE109E, ILE304C, ILE304E, ILE323C, LEU113C, LEU113E, LEU115C, LEU115E, LEU298C, LEU298E, LEU2C, LEU2E, LEU301C, LEU301E, LEU328C, LEU328E, LEU330C, LEU330E, LYS176C, LYS176E, LYS33C, LYS33E, PRO110C, PRO110E, PRO299C, PRO299E, PRO306C, PRO306E, PRO331C, PRO331E, THR114C, THR114E, THR116C, THR116E, THR308C, THR308E, THR85C, THR85E, TYR305C, TYR305E, TYR98C, VAL17C, VAL17E, VAL300E, VAL307C, VAL307E, VAL327C, VAL327E, VAL34C, VAL34E