1S9C

crystal structure analysis of the 2-enoyl-coa hydratase 2 domain of human peroxisomal multifunctional enzyme type 2

• Total interactions analyzed: 66
• Total true interactions: 13
• Strongest Interaction:
  • Chains: K-L
  • Int. Res.: 104
  • Norm. En. per Res.: -3.9073
• Hub Node: A(3)

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	-51.3621	-92.4284	-273.08	-416.8704	109	15	18	12447	8	16	15
A-D	0.0	0.0	-0.0025	-0.0025	3	0	0	4	0	0	2
A-E	-13.9805	-3.8677	-95.8853	-113.7335	66	5	4	4555	4	25	25
B-D	0.0	0.671	-31.874	-31.203	33	2	1	1386	0	3	3
B-I	0.0	3.3674	-1.9168	1.4507	8	0	0	104	0	5	7
C-D	-48.5021	-94.1382	-269.299	-411.9393	109	13	16	12095	8	13	15
D-G	-5.487	-0.2914	-89.8094	-95.5879	64	6	4	4327	2	24	22
E-F	-47.7141	-91.3617	-268.9	-407.9758	109	14	17	12194	8	13	15
G-H	-40.0868	-87.1345	-263.981	-391.2023	106	10	18	12289	8	15	15
H-I	-25.8613	-3.6351	-95.2889	-124.7853	65	6	4	4502	4	25	25
I-J	-44.0994	-88.5367	-261.263	-393.8991	105	8	18	12168	8	17	15
J-K	-30.2741	-4.3177	-99.6206	-134.2124	65	6	4	4692	4	25	26
K-L	-48.4419	-86.4104	-271.503	-406.3554	104	10	18	12361	8	16	14

Interface residues

• A-B: ALA185A, ALA185B, ALA186A, ALA186B, ALA204A, ALA27A, ALA27B, ALA31A, ALA31B, ALA36A, ALA36B, ARG189A, ARG189B, ASN183A, ASN183B, ASN195A, ASN195B, ASN202A, ASN202B, ASP200A, ASP200B, ASP40A, ASP40B, ASP43A, ASP43B, GLN184A, GLN184B, GLU24A, GLU24B, GLU26A, GLU26B, GLU49A, GLU49B, GLY192A, GLY192B, GLY253A, GLY253B, GLY33A, GLY33B, GLY35A, GLY35B, GLY50A, GLY50B, HIS198A, HIS198B, ILE199A, ILE199B, ILE28A, ILE28B, ILE38A, ILE38B, ILE47A, ILE47B, LEU182A, LEU182B, LEU187A, LEU187B, LEU190A, LEU190B, LEU197A, LEU197B, LEU214B, LEU25A, LEU25B, LEU32A, LEU32B, LEU44A, LEU44B, LYS211A, LYS211B, LYS39A, LYS39B, MET29A, MET29B, PHE203A, PHE203B, PHE46A, PHE46B, PHE54A, PHE54B, PRO196A, PRO196B, PRO201A, PRO201B, PRO212A, PRO212B, PRO252A, PRO252B, PRO41A, PRO41B, SER181A, SER181B, SER191A, SER191B, SER37A, SER37B, SER51A, SER51B, SER52B, THR23A, THR23B, TRP194A, TRP194B, TYR188A, TYR188B, TYR30A, TYR30B, TYR48A, TYR48B
• A-D: ASP210D, SER205D, SER52A
• A-E: ALA174A, ALA174E, ALA232A, ALA232E, ARG170A, ARG170E, ARG226A, ARG226E, ARG238A, ARG238E, ASN265E, ASP173A, ASP173E, ASP178A, ASP178E, ASP233A, ASP233E, ASP40A, ASP40E, GLN229A, GLN229E, GLN230A, GLN230E, GLN257A, GLN257E, GLN274A, GLN274E, GLU259A, GLU259E, GLU263A, GLU263E, GLU275A, GLU275E, GLY264A, GLY264E, LEU176A, LEU176E, LEU256A, LEU256E, LYS262A, LYS262E, LYS39A, LYS39E, LYS42A, LYS42E, MET260A, MET260E, PHE231A, PHE231E, PRO171A, PRO171E, PRO172A, PRO172E, PRO41A, PRO41E, THR177A, THR177E, THR179A, THR179E, THR255A, THR255E, THR258A, THR258E, TRP261A, VAL175A, VAL175E
• B-D: ALA204D, ALA207B, ALA207D, ALA247D, ALA85B, ARG245D, ASN202B, ASN202D, ASN83B, ASP200B, ASP278D, GLY208B, GLY208D, GLY90D, ILE279D, ILE82B, LEU146D, LEU206B, LEU206D, LEU88D, LYS248D, LYS86B, LYS86D, PHE145D, PHE203B, PHE203D, PHE209D, PHE246D, PHE84B, PRO249D, SER205B, SER205D, VAL280D
• B-I: ARG156I, ASP159B, ASP159I, LYS155I, LYS160B, SER158B, SER158I, THR157I
• C-D: ALA185C, ALA185D, ALA186C, ALA186D, ALA204C, ALA27C, ALA27D, ALA31C, ALA31D, ALA36C, ALA36D, ARG189C, ARG189D, ASN183C, ASN183D, ASN195C, ASN195D, ASN202C, ASN202D, ASP200C, ASP200D, ASP40C, ASP40D, ASP43C, ASP43D, GLN184C, GLN184D, GLU24C, GLU24D, GLU26C, GLU26D, GLU49C, GLU49D, GLY192C, GLY192D, GLY253C, GLY253D, GLY33C, GLY33D, GLY35C, GLY35D, GLY50C, GLY50D, HIS198C, HIS198D, ILE199C, ILE199D, ILE28C, ILE28D, ILE38C, ILE38D, ILE47C, ILE47D, LEU182C, LEU182D, LEU187C, LEU187D, LEU190C, LEU190D, LEU197C, LEU197D, LEU25C, LEU25D, LEU32C, LEU32D, LEU44C, LEU44D, LYS211C, LYS211D, LYS39C, LYS39D, MET29C, MET29D, PHE203C, PHE203D, PHE46C, PHE46D, PHE54C, PHE54D, PRO196C, PRO196D, PRO201C, PRO201D, PRO212C, PRO212D, PRO252C, PRO252D, PRO41C, PRO41D, SER181C, SER181D, SER191C, SER191D, SER37C, SER37D, SER51C, SER51D, SER52C, SER52D, THR23C, THR23D, TRP194C, TRP194D, TYR188C, TYR188D, TYR30C, TYR30D, TYR48C, TYR48D
• D-G: ALA174D, ALA174G, ALA232D, ARG170D, ARG170G, ARG226D, ARG226G, ARG238D, ARG238G, ASP173D, ASP173G, ASP178D, ASP178G, ASP233D, ASP233G, ASP40D, ASP40G, GLN229D, GLN229G, GLN230D, GLN230G, GLN257D, GLN257G, GLN274D, GLN274G, GLU259D, GLU259G, GLU263D, GLU263G, GLU275D, GLU275G, GLY264D, GLY264G, LEU176D, LEU176G, LEU256D, LEU256G, LYS262D, LYS262G, LYS39D, LYS39G, LYS42D, LYS42G, MET260D, MET260G, PHE231D, PHE231G, PRO171D, PRO171G, PRO172D, PRO172G, PRO41D, PRO41G, THR177D, THR177G, THR179D, THR179G, THR255D, THR255G, THR258D, THR258G, TRP261G, VAL175D, VAL175G
• E-F: ALA185E, ALA185F, ALA186E, ALA186F, ALA204F, ALA27E, ALA27F, ALA31E, ALA31F, ALA36E, ALA36F, ARG189E, ARG189F, ASN183E, ASN183F, ASN195E, ASN195F, ASN202E, ASN202F, ASP200E, ASP200F, ASP40E, ASP40F, ASP43E, ASP43F, GLN184E, GLN184F, GLU24E, GLU24F, GLU26E, GLU26F, GLU49E, GLU49F, GLY192E, GLY192F, GLY253E, GLY253F, GLY33E, GLY33F, GLY35E, GLY35F, GLY50E, GLY50F, HIS198E, HIS198F, ILE199E, ILE199F, ILE28E, ILE28F, ILE38E, ILE38F, ILE47E, ILE47F, LEU182E, LEU182F, LEU187E, LEU187F, LEU190E, LEU190F, LEU197E, LEU197F, LEU214E, LEU25E, LEU25F, LEU32E, LEU32F, LEU44E, LEU44F, LYS211E, LYS39E, LYS39F, MET29E, MET29F, PHE203E, PHE203F, PHE46E, PHE46F, PHE54E, PHE54F, PRO196E, PRO196F, PRO201E, PRO201F, PRO212E, PRO212F, PRO252E, PRO252F, PRO41E, PRO41F, SER181E, SER181F, SER191E, SER191F, SER37E, SER37F, SER51E, SER51F, SER52E, SER52F, THR23E, THR23F, TRP194E, TRP194F, TYR188E, TYR188F, TYR30E, TYR30F, TYR48E, TYR48F
• G-H: ALA185G, ALA185H, ALA186G, ALA186H, ALA204G, ALA27G, ALA27H, ALA31G, ALA31H, ALA36G, ALA36H, ARG189G, ARG189H, ASN183G, ASN183H, ASN195G, ASN195H, ASN202G, ASN202H, ASP200G, ASP200H, ASP40G, ASP40H, ASP43G, ASP43H, GLN184G, GLN184H, GLU24G, GLU24H, GLU26G, GLU26H, GLU49G, GLU49H, GLY192G, GLY192H, GLY33G, GLY33H, GLY35G, GLY35H, GLY50G, GLY50H, HIS198G, HIS198H, ILE199G, ILE199H, ILE28G, ILE28H, ILE38G, ILE38H, ILE47G, ILE47H, LEU182G, LEU182H, LEU187G, LEU187H, LEU190G, LEU190H, LEU197G, LEU197H, LEU25G, LEU25H, LEU32G, LEU32H, LEU44G, LEU44H, LYS211G, LYS211H, LYS39G, LYS39H, MET29G, MET29H, PHE203G, PHE203H, PHE46G, PHE46H, PHE54G, PHE54H, PRO196G, PRO196H, PRO201G, PRO201H, PRO212G, PRO212H, PRO252G, PRO252H, PRO41G, PRO41H, SER181G, SER181H, SER191G, SER191H, SER37G, SER37H, SER51G, SER51H, SER52G, THR23G, THR23H, TRP194G, TRP194H, TYR188G, TYR188H, TYR30G, TYR30H, TYR48G, TYR48H
• H-I: ALA174H, ALA174I, ALA232H, ALA232I, ARG170H, ARG170I, ARG226H, ARG226I, ARG238H, ARG238I, ASP173H, ASP173I, ASP178H, ASP178I, ASP233H, ASP233I, ASP40H, ASP40I, GLN229H, GLN229I, GLN230H, GLN230I, GLN257H, GLN257I, GLN274H, GLN274I, GLU259H, GLU259I, GLU263H, GLU263I, GLU275H, GLU275I, GLY264H, GLY264I, LEU176H, LEU176I, LEU256H, LEU256I, LYS262H, LYS262I, LYS39H, LYS39I, LYS42H, LYS42I, MET260H, MET260I, PHE231H, PHE231I, PRO171H, PRO171I, PRO172H, PRO172I, PRO41H, PRO41I, THR177H, THR177I, THR179H, THR179I, THR255H, THR255I, THR258H, THR258I, TRP261I, VAL175H, VAL175I
• I-J: ALA185I, ALA185J, ALA186I, ALA186J, ALA27I, ALA27J, ALA31I, ALA31J, ALA36I, ALA36J, ARG189I, ARG189J, ASN183I, ASN183J, ASN195I, ASN195J, ASN202I, ASN202J, ASP200I, ASP200J, ASP40I, ASP40J, ASP43I, ASP43J, GLN184I, GLN184J, GLU24I, GLU24J, GLU26I, GLU26J, GLU49I, GLU49J, GLY192I, GLY192J, GLY33I, GLY33J, GLY35I, GLY35J, GLY50I, GLY50J, HIS198I, HIS198J, ILE199I, ILE199J, ILE28I, ILE28J, ILE38I, ILE38J, ILE47I, ILE47J, LEU182I, LEU182J, LEU187I, LEU187J, LEU190I, LEU190J, LEU197I, LEU197J, LEU25I, LEU25J, LEU32I, LEU32J, LEU44I, LEU44J, LYS211I, LYS211J, LYS39I, LYS39J, MET29I, MET29J, PHE203I, PHE203J, PHE46I, PHE46J, PHE54I, PHE54J, PRO196I, PRO196J, PRO201I, PRO201J, PRO212I, PRO212J, PRO252I, PRO252J, PRO41I, PRO41J, SER181I, SER181J, SER191I, SER191J, SER37I, SER37J, SER51I, SER51J, SER52I, THR23I, THR23J, TRP194I, TRP194J, TYR188I, TYR188J, TYR30I, TYR30J, TYR48I, TYR48J
• J-K: ALA174J, ALA174K, ALA232J, ALA232K, ARG170J, ARG170K, ARG226J, ARG226K, ARG238J, ARG238K, ASP173J, ASP173K, ASP178J, ASP178K, ASP233J, ASP233K, ASP40J, ASP40K, GLN229J, GLN229K, GLN230J, GLN230K, GLN257J, GLN257K, GLN274J, GLN274K, GLU259J, GLU259K, GLU263J, GLU263K, GLU275J, GLU275K, GLY264J, GLY264K, LEU176J, LEU176K, LEU256J, LEU256K, LYS262J, LYS262K, LYS39J, LYS39K, LYS42J, LYS42K, MET260J, MET260K, PHE231J, PHE231K, PRO171J, PRO171K, PRO172J, PRO172K, PRO41J, PRO41K, THR177J, THR177K, THR179J, THR179K, THR255J, THR255K, THR258J, THR258K, TRP261K, VAL175J, VAL175K
• K-L: ALA185K, ALA185L, ALA186K, ALA186L, ALA27K, ALA27L, ALA31K, ALA31L, ALA36K, ALA36L, ARG189K, ARG189L, ASN183K, ASN183L, ASN195K, ASN195L, ASN202K, ASP200K, ASP200L, ASP40K, ASP40L, ASP43K, ASP43L, GLN184K, GLN184L, GLU24K, GLU24L, GLU26K, GLU26L, GLU49K, GLU49L, GLY192K, GLY192L, GLY253K, GLY253L, GLY33K, GLY33L, GLY35K, GLY35L, GLY50K, GLY50L, HIS198K, HIS198L, ILE199K, ILE199L, ILE28K, ILE28L, ILE38K, ILE38L, ILE47K, ILE47L, LEU182K, LEU182L, LEU187K, LEU187L, LEU190K, LEU190L, LEU197K, LEU197L, LEU25K, LEU25L, LEU32K, LEU32L, LEU44K, LEU44L, LYS211K, LYS39K, LYS39L, MET29K, MET29L, PHE203K, PHE46K, PHE46L, PHE54K, PHE54L, PRO196K, PRO196L, PRO201K, PRO201L, PRO212K, PRO212L, PRO252K, PRO252L, PRO41K, PRO41L, SER181K, SER181L, SER191K, SER191L, SER37K, SER37L, SER51K, SER51L, SER52L, THR23K, THR23L, TRP194K, TRP194L, TYR188K, TYR188L, TYR30K, TYR30L, TYR48K, TYR48L