2AMF

crystal structure of 1-pyrroline-5-carboxylate reductase from human pathogen streptococcus pyogenes

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 265
  • Norm. En. per Res.: -4.9953
• 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	-19.9598	-32.132	-86.6344	-138.7262	50	3	1	3962	2	16	12
A-C	0.0	2.4925	-2.7507	-0.2582	28	0	0	539	0	4	20
A-D	-33.7343	-49.6493	-1241.5	-1324.8836	267	31	68	53730	4	45	35
A-E	0.0	38.5759	-61.6756	-23.0997	52	1	0	2562	0	10	15
B-C	-43.2194	-54.4624	-1226.07	-1323.7518	265	35	67	53647	6	44	36
B-D	0.0	37.7132	-65.3823	-27.6691	48	1	0	2622	0	10	15
C-D	-25.1344	-31.7683	-86.1241	-143.0269	53	3	1	3926	2	17	13
D-E	-21.8175	-29.335	-84.8012	-135.9537	48	2	1	3765	2	16	12

Interface residues

• A-B: ALA175A, ALA177A, ALA179A, ALA188A, ALA190A, ALA218B, ALA228B, ARG235A, ARG235B, ASN183A, ASP154B, ASP214B, ASP217B, ASP247B, CYS220B, GLN68A, GLU174A, GLU232B, GLU234B, GLY180A, GLY184A, GLY223B, GLY224B, GLY229B, HIS213B, ILE185A, ILE216B, ILE219B, ILE227B, LEU171A, LEU191A, LEU230B, LEU236A, LEU69A, LYS153B, LYS178A, LYS182A, LYS187A, LYS248A, LYS252A, LYS254B, LYS66A, MET231B, PRO186A, PRO222B, SER221B, THR226B, THR239B, THR72A, VAL181A
• A-C: ALA167A, ALA167C, ASN183A, ASN183C, GLN68A, GLN68C, GLY184A, GLY184C, ILE185A, ILE185C, LEU171A, LEU171C, LYS10A, LYS10C, LYS178A, LYS178C, LYS182A, LYS182C, LYS187A, LYS187C, LYS248A, LYS248C, LYS252A, LYS252C, LYS66A, LYS66C, PRO186A, PRO186C
• A-D: ALA114A, ALA114D, ALA122A, ALA122D, ALA14A, ALA14D, ALA160A, ALA160D, ALA162A, ALA162D, ALA167A, ALA167D, ALA175A, ALA175D, ALA177A, ALA177D, ALA179A, ALA179D, ALA188A, ALA190A, ALA190D, ALA200A, ALA200D, ALA202A, ALA202D, ALA218A, ALA218D, ALA228A, ALA228D, ALA240A, ALA240D, ALA245A, ALA245D, ALA253A, ALA253D, ALA87A, ALA88A, ALA88D, ARG235A, ARG235D, ASN111A, ASN111D, ASN113A, ASN113D, ASN183A, ASN183D, ASN204A, ASN204D, ASP149A, ASP149D, ASP154A, ASP154D, ASP156A, ASP156D, ASP214A, ASP214D, ASP217A, ASP217D, ASP247A, ASP247D, ASP251A, ASP251D, CYS220A, CYS220D, GLN115A, GLN115D, GLN118A, GLN118D, GLN196A, GLN196D, GLN210A, GLN210D, GLN68A, GLN68D, GLU174A, GLU174D, GLU192A, GLU192D, GLU232A, GLU232D, GLU234A, GLU234D, GLY145A, GLY145D, GLY163A, GLY163D, GLY180A, GLY180D, GLY184A, GLY184D, GLY223A, GLY223D, GLY224A, GLY224D, GLY229A, GLY229D, GLY237A, GLY237D, GLY89A, GLY89D, GLY9A, HIS213A, HIS213D, ILE116A, ILE116D, ILE150A, ILE150D, ILE169A, ILE169D, ILE173A, ILE173D, ILE185A, ILE185D, ILE193A, ILE193D, ILE216A, ILE216D, ILE219A, ILE219D, ILE227A, ILE227D, ILE246A, ILE246D, ILE250A, ILE250D, LEU117A, LEU117D, LEU161A, LEU161D, LEU171A, LEU171D, LEU176A, LEU176D, LEU191A, LEU191D, LEU199A, LEU199D, LEU205A, LEU205D, LEU230A, LEU230D, LEU233A, LEU233D, LEU236A, LEU236D, LEU238A, LEU238D, LEU256A, LEU256D, LYS10A, LYS10D, LYS153A, LYS153D, LYS178A, LYS178D, LYS17A, LYS182A, LYS182D, LYS187A, LYS187D, LYS189A, LYS189D, LYS206A, LYS206D, LYS248A, LYS248D, LYS252A, LYS252D, LYS254A, LYS254D, LYS66A, LYS66D, MET109A, MET109D, MET112A, MET112D, MET11A, MET11D, MET231A, MET231D, PHE144D, PHE148A, PHE148D, PHE155A, PHE155D, PHE158A, PHE158D, PHE172A, PHE172D, PHE215A, PHE215D, PRO110A, PRO110D, PRO166A, PRO166D, PRO186A, PRO186D, PRO212A, PRO212D, PRO222A, PRO222D, PRO67A, PRO67D, SER119A, SER119D, SER120A, SER120D, SER146A, SER146D, SER151A, SER151D, SER164A, SER164D, SER165A, SER165D, SER201A, SER201D, SER203A, SER203D, SER208A, SER208D, SER211A, SER211D, SER221A, SER221D, SER243A, SER243D, SER244A, SER244D, SER255A, SER255D, THR121A, THR121D, THR147A, THR147D, THR157A, THR157D, THR159A, THR159D, THR195A, THR195D, THR197A, THR197D, THR207A, THR207D, THR225A, THR225D, THR226A, THR226D, THR239A, THR239D, THR241A, THR241D, THR249A, THR249D, TYR168A, TYR168D, TYR170A, TYR170D, VAL181A, VAL181D, VAL194A, VAL194D, VAL198A, VAL198D, VAL242A, VAL242D
• A-E: ALA240A, ALA240E, ARG235A, ARG235E, ASP154E, ASP214A, ASP214E, ASP217A, ASP217E, ASP247A, ASP247E, GLN210A, GLN210E, GLU232A, GLU232E, GLU234A, GLU234E, GLY237A, GLY237E, HIS213A, HIS213E, ILE216A, ILE216E, ILE227A, ILE227E, ILE246A, LEU230A, LEU230E, LEU233A, LEU233E, LEU236A, LEU236E, LEU238A, LEU238E, MET231A, MET231E, PRO212A, PRO212E, PRO222A, SER211A, SER211E, SER243A, SER243E, SER244A, SER244E, THR157E, THR239A, THR239E, THR241A, THR241E, VAL242A, VAL242E
• B-C: ALA114B, ALA114C, ALA122B, ALA122C, ALA14B, ALA14C, ALA160B, ALA160C, ALA162B, ALA162C, ALA167B, ALA167C, ALA175B, ALA175C, ALA177B, ALA177C, ALA179B, ALA179C, ALA188B, ALA188C, ALA190B, ALA190C, ALA200B, ALA200C, ALA202B, ALA202C, ALA218B, ALA218C, ALA228B, ALA228C, ALA240B, ALA240C, ALA245B, ALA245C, ALA253B, ALA253C, ALA87C, ALA88B, ALA88C, ARG235B, ARG235C, ASN111B, ASN111C, ASN113B, ASN113C, ASN183B, ASN183C, ASN204B, ASN204C, ASP149B, ASP149C, ASP154B, ASP154C, ASP156B, ASP156C, ASP214B, ASP214C, ASP217B, ASP217C, ASP247B, ASP247C, ASP251B, ASP251C, CYS220B, CYS220C, GLN115B, GLN115C, GLN118B, GLN118C, GLN196B, GLN196C, GLN210B, GLN210C, GLN68B, GLN68C, GLU174B, GLU174C, GLU192B, GLU192C, GLU232B, GLU232C, GLU234B, GLU234C, GLY145B, GLY145C, GLY163B, GLY163C, GLY180B, GLY180C, GLY184B, GLY184C, GLY223B, GLY223C, GLY224B, GLY224C, GLY229B, GLY229C, GLY237B, GLY237C, GLY89B, GLY89C, HIS213B, HIS213C, ILE116B, ILE116C, ILE150B, ILE150C, ILE169B, ILE169C, ILE173B, ILE173C, ILE185B, ILE185C, ILE193B, ILE193C, ILE216B, ILE216C, ILE219B, ILE219C, ILE227B, ILE227C, ILE246B, ILE246C, ILE250B, ILE250C, LEU117B, LEU117C, LEU161B, LEU161C, LEU171B, LEU171C, LEU176B, LEU176C, LEU191B, LEU191C, LEU199B, LEU199C, LEU205B, LEU205C, LEU230B, LEU230C, LEU233B, LEU233C, LEU236B, LEU236C, LEU238B, LEU238C, LEU256B, LEU256C, LYS10B, LYS10C, LYS153B, LYS153C, LYS178B, LYS178C, LYS182B, LYS182C, LYS187B, LYS187C, LYS189B, LYS189C, LYS206B, LYS206C, LYS248B, LYS248C, LYS252B, LYS252C, LYS254B, LYS254C, LYS66B, LYS66C, MET109B, MET109C, MET112B, MET112C, MET11B, MET11C, MET231B, MET231C, PHE148B, PHE148C, PHE155B, PHE155C, PHE158B, PHE158C, PHE172B, PHE172C, PHE215B, PHE215C, PRO110B, PRO110C, PRO166B, PRO166C, PRO186B, PRO186C, PRO212B, PRO212C, PRO222B, PRO222C, PRO67B, PRO67C, SER119B, SER119C, SER120B, SER120C, SER146B, SER146C, SER151B, SER151C, SER164B, SER164C, SER165B, SER165C, SER201B, SER201C, SER203B, SER203C, SER208B, SER208C, SER211B, SER211C, SER221B, SER221C, SER243B, SER243C, SER244B, SER244C, SER255B, SER255C, THR121B, THR121C, THR147B, THR147C, THR157B, THR157C, THR159B, THR159C, THR195B, THR195C, THR197B, THR197C, THR207B, THR207C, THR225B, THR225C, THR226B, THR226C, THR239B, THR239C, THR241B, THR241C, THR249B, THR249C, TYR168B, TYR168C, TYR170B, TYR170C, VAL181B, VAL181C, VAL194B, VAL194C, VAL198B, VAL198C, VAL242B, VAL242C
• B-D: ALA240B, ALA240D, ARG235B, ARG235D, ASP214B, ASP214D, ASP217B, ASP217D, ASP247B, ASP247D, GLN210B, GLN210D, GLU232B, GLU232D, GLU234B, GLU234D, GLY237B, GLY237D, HIS213B, HIS213D, ILE216B, ILE216D, ILE227B, ILE227D, LEU230B, LEU230D, LEU233B, LEU233D, LEU236B, LEU236D, LEU238B, LEU238D, MET231B, MET231D, PRO212B, PRO212D, SER211B, SER211D, SER243B, SER243D, SER244B, SER244D, THR239B, THR239D, THR241B, THR241D, VAL242B, VAL242D
• C-D: ALA175C, ALA177C, ALA179C, ALA188C, ALA190C, ALA218D, ALA228D, ARG235C, ARG235D, ASN183C, ASP154D, ASP214D, ASP217D, ASP247D, CYS220D, GLN68C, GLU174C, GLU232D, GLU234D, GLY180C, GLY184C, GLY223D, GLY224D, GLY229D, HIS213D, ILE185C, ILE216D, ILE219D, ILE227D, LEU171C, LEU191C, LEU230D, LEU236C, LEU69C, LYS153D, LYS178C, LYS182C, LYS187C, LYS189C, LYS248C, LYS252C, LYS254D, LYS66C, MET231D, PRO186C, PRO222D, SER151D, SER221D, THR225D, THR226D, THR239D, THR72C, VAL181C
• D-E: ALA175D, ALA177D, ALA179D, ALA188D, ALA190D, ALA218E, ALA228E, ARG235D, ARG235E, ASN183D, ASP214E, ASP217E, ASP247E, CYS220E, GLN68D, GLU174D, GLU232E, GLU234E, GLY180D, GLY184D, GLY223E, GLY224E, GLY229E, HIS213E, ILE185D, ILE216E, ILE219E, ILE227E, LEU171D, LEU191D, LEU230E, LEU236D, LEU69D, LYS153E, LYS178D, LYS182D, LYS187D, LYS189D, LYS248D, LYS66D, MET231E, PRO186D, PRO222E, SER221E, THR226E, THR239E, THR72D, VAL181D