2GH6

crystal structure of a hdac-like protein with 9,9,9-trifluoro-8-oxo-n- phenylnonan amide bound

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 183
  • Norm. En. per Res.: -2.5154
• 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	-56.7383	20.992	-427.229	-462.9753	187	14	1	17545	0	24	42
A-C	-33.2706	0.0	-204.588	-237.8586	97	6	0	7957	8	10	6
A-D	0.0	8.8123	-88.4419	-79.6296	62	2	2	3324	0	18	13
B-C	0.0	4.223	-87.1327	-82.9097	60	1	2	3353	0	18	13
B-D	-14.9153	0.0	-189.367	-204.2823	95	4	0	7451	8	10	6
C-D	-55.194	21.6835	-426.814	-460.3245	183	12	1	17733	0	24	42

Interface residues

• A-B: ALA22A, ALA22B, ALA23A, ALA23B, ALA24A, ALA24B, ALA269A, ALA269B, ALA276A, ALA276B, ALA28A, ALA28B, ALA343A, ALA343B, ALA353A, ALA353B, ALA38A, ALA38B, ALA52A, ALA52B, ARG277A, ARG277B, ARG29A, ARG29B, ARG44A, ARG44B, ARG45A, ARG45B, ASN25A, ASN25B, ASP211A, ASP211B, ASP268A, ASP268B, ASP273A, ASP273B, ASP336A, ASP336B, ASP352A, ASP352B, ASP41A, ASP41B, CYS207A, CYS207B, CYS51A, CYS51B, GLN204A, GLN204B, GLN31A, GLN31B, GLN55A, GLN55B, GLU340A, GLU340B, GLU354A, GLU354B, GLU48A, GLU48B, GLY19A, GLY19B, GLY235A, GLY235B, GLY237A, GLY237B, GLY344A, GLY344B, GLY346A, GLY346B, GLY347A, GLY347B, GLY54A, GLY54B, HIS182A, HIS182B, HIS205A, HIS205B, HIS315A, HIS315B, HIS339B, HIS35A, HIS35B, HIS36A, HIS36B, HIS39A, HIS39B, HIS47A, HIS47B, ILE100A, ILE100B, ILE33A, ILE33B, LEU206A, LEU206B, LEU21A, LEU21B, LEU26A, LEU26B, LEU272A, LEU272B, LEU275A, LEU275B, LEU322A, LEU322B, LEU334A, LEU334B, LEU342A, LEU342B, LEU351A, LEU351B, LEU37A, LEU37B, LEU49A, LEU49B, MET271A, MET271B, MET278A, MET278B, MET279A, MET279B, MET30A, MET30B, MET345A, MET345B, PHE152A, PHE152B, PHE208A, PHE208B, PHE319A, PHE319B, PHE341A, PHE341B, PHE46A, PHE46B, PRO209A, PRO209B, PRO210A, PRO210B, PRO233A, PRO233B, PRO234A, PRO234B, PRO274A, PRO274B, PRO314A, PRO314B, PRO318A, PRO318B, PRO32A, PRO32B, PRO335A, PRO335B, PRO337A, PRO337B, SER20A, SER20B, SER236A, SER236B, SER270A, SER270B, SER313A, SER313B, SER333A, SER333B, SER34A, SER34B, SER53A, SER53B, THR18A, THR18B, THR27A, THR27B, THR42A, THR42B, TYR214A, TYR214B, TYR312A, TYR312B, TYR316A, TYR316B, TYR338A, TYR338B, VAL181A, VAL181B, VAL280A, VAL280B, VAL50A, VAL50B
• A-C: ALA111A, ALA111C, ALA22C, ALA23A, ALA23C, ALA24A, ALA24C, ALA28A, ALA28C, ARG29A, ARG29C, ARG44A, ARG44C, ASN105A, ASN105C, ASN25A, ASN25C, ASN89A, ASN8A, ASN8C, ASP15A, ASP15C, ASP41A, ASP41C, ASP95A, ASP95C, GLN31A, GLN31C, GLU109A, GLU109C, GLY104A, GLY104C, GLY106A, GLY106C, GLY107A, GLY107C, GLY12A, GLY12C, GLY17A, GLY17C, GLY19A, GLY19C, GLY93A, GLY94A, GLY94C, GLY99A, GLY99C, HIS35A, HIS35C, HIS36A, HIS36C, HIS39A, HIS39C, ILE110A, ILE110C, ILE33A, ILE33C, LEU108A, LEU108C, LEU10A, LEU10C, LEU113A, LEU113C, LEU26A, LEU26C, LEU90A, MET102A, MET102C, MET103A, MET103C, MET30A, MET30C, PRO32A, PRO32C, PRO40A, PRO40C, PRO91A, PRO91C, SER34A, SER34C, SER88A, SER88C, THR16A, THR16C, THR18A, THR18C, THR27A, THR27C, THR92A, THR92C, THR9A, THR9C, TRP13A, TRP13C, TYR11C, VAL14A, VAL14C
• A-D: ALA52A, ALA52D, ALA63A, ALA63D, ARG44A, ARG44D, ARG45A, ARG45D, ASN8A, ASN8D, ASP41A, ASP41D, CYS51A, CYS51D, GLU109A, GLU109D, GLU48A, GLU48D, GLU57A, GLU57D, GLY12A, GLY12D, GLY54A, GLY54D, HIS35A, HIS35D, HIS39A, HIS39D, HIS47A, HIS47D, ILE56A, ILE56D, LEU10A, LEU10D, LEU113A, LEU113D, LEU322A, LEU322D, LEU334A, LEU334D, LEU49A, LEU49D, PHE319A, PHE319D, PHE46A, PHE46D, PRO318A, PRO318D, SER34A, SER34D, SER53A, SER53D, THR9A, THR9D, TRP13A, TRP13D, TRP7A, TRP7D, TYR11A, TYR11D, VAL50A, VAL50D
• B-C: ALA52B, ALA52C, ALA63B, ALA63C, ARG44B, ARG44C, ARG45B, ARG45C, ASN8B, ASN8C, ASP41B, ASP41C, CYS51B, CYS51C, GLU109B, GLU109C, GLU48B, GLU48C, GLU57B, GLU57C, GLY12B, GLY12C, GLY54B, GLY54C, HIS35B, HIS35C, HIS39B, HIS39C, HIS47B, HIS47C, ILE56B, ILE56C, LEU10B, LEU10C, LEU113B, LEU113C, LEU322B, LEU322C, LEU334B, LEU334C, LEU49B, LEU49C, PHE319B, PHE319C, PHE46B, PHE46C, PRO318B, PRO318C, SER34B, SER34C, SER53B, SER53C, THR9B, THR9C, TRP13B, TRP13C, TRP7B, TRP7C, VAL50B, VAL50C
• B-D: ALA111B, ALA111D, ALA23B, ALA23D, ALA24B, ALA24D, ALA28B, ALA28D, ARG29B, ARG29D, ARG44B, ARG44D, ASN105B, ASN105D, ASN25B, ASN25D, ASN89B, ASN8B, ASN8D, ASP15B, ASP15D, ASP41B, ASP41D, ASP95B, ASP95D, GLN31B, GLN31D, GLU109B, GLU109D, GLY104B, GLY104D, GLY106B, GLY106D, GLY107B, GLY107D, GLY12B, GLY12D, GLY17B, GLY17D, GLY19B, GLY19D, GLY94B, GLY94D, GLY99B, GLY99D, HIS35B, HIS35D, HIS36B, HIS36D, HIS39B, HIS39D, ILE110B, ILE110D, ILE33B, ILE33D, LEU108B, LEU108D, LEU10B, LEU10D, LEU113B, LEU113D, LEU26B, LEU26D, MET102B, MET102D, MET103B, MET103D, MET30B, MET30D, PRO32B, PRO32D, PRO40B, PRO40D, PRO91B, PRO91D, SER34B, SER34D, SER88B, SER88D, THR16B, THR16D, THR18B, THR18D, THR27B, THR27D, THR92B, THR92D, THR9B, THR9D, TRP13B, TRP13D, TYR11B, TYR11D, VAL14B, VAL14D
• C-D: ALA22C, ALA22D, ALA23C, ALA23D, ALA24C, ALA24D, ALA269C, ALA269D, ALA276C, ALA276D, ALA28C, ALA28D, ALA343C, ALA343D, ALA353C, ALA353D, ALA38C, ALA38D, ALA52C, ALA52D, ARG277C, ARG277D, ARG29C, ARG29D, ARG44C, ARG44D, ARG45C, ARG45D, ASN25C, ASN25D, ASP211C, ASP211D, ASP268C, ASP268D, ASP273C, ASP273D, ASP336C, ASP336D, ASP352C, ASP352D, ASP41C, ASP41D, CYS207C, CYS207D, CYS51C, CYS51D, GLN204C, GLN204D, GLN31C, GLN31D, GLN55C, GLN55D, GLU340C, GLU340D, GLU354C, GLU354D, GLU48C, GLU48D, GLY19C, GLY19D, GLY235C, GLY235D, GLY237C, GLY344C, GLY344D, GLY346C, GLY346D, GLY347C, GLY347D, GLY54C, GLY54D, HIS182C, HIS182D, HIS205C, HIS205D, HIS315C, HIS315D, HIS35C, HIS35D, HIS36C, HIS36D, HIS39C, HIS39D, HIS47C, HIS47D, ILE100C, ILE100D, ILE33C, ILE33D, LEU206C, LEU206D, LEU21C, LEU21D, LEU26C, LEU26D, LEU272C, LEU272D, LEU275C, LEU275D, LEU322C, LEU322D, LEU334C, LEU334D, LEU342C, LEU342D, LEU351C, LEU351D, LEU37C, LEU37D, LEU49C, LEU49D, MET271C, MET271D, MET278C, MET278D, MET279C, MET279D, MET30C, MET30D, MET345C, MET345D, PHE152C, PHE152D, PHE208C, PHE208D, PHE319C, PHE319D, PHE341C, PHE341D, PHE46C, PHE46D, PRO209C, PRO209D, PRO210C, PRO210D, PRO233C, PRO233D, PRO234C, PRO234D, PRO274C, PRO274D, PRO314C, PRO314D, PRO318C, PRO318D, PRO32C, PRO32D, PRO335C, PRO335D, PRO337C, PRO337D, SER20C, SER20D, SER236C, SER236D, SER270C, SER270D, SER313C, SER313D, SER333C, SER333D, SER34C, SER34D, SER53C, SER53D, THR18C, THR18D, THR27C, THR27D, THR42C, THR42D, TYR312C, TYR312D, TYR316C, TYR316D, TYR338C, TYR338D, VAL181C, VAL181D, VAL280C, VAL280D, VAL50C, VAL50D