2B9U

crystal structure of dtdp-4-dehydrorhamnose 3,5-epimerase from sulfolobus tokodaii

• Total interactions analyzed: 66
• Total true interactions: 33
• Strongest Interaction:
  • Chains: C-H
  • Int. Res.: 25
  • Norm. En. per Res.: -5.5732
• Hub Node: C(6)

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-C	-220.5383	80.3766	-533.427	-673.5887	142	28	3	20589	1	47	46
A-G	0.0	19.5128	-55.0105	-35.4977	45	3	1	3026	1	34	30
A-H	0.0	6.2193	-9.2772	-3.0579	15	0	0	493	0	14	12
A-K	0.0	0.0	-0.2364	-0.2364	4	0	0	44	0	2	0
A-L	0.0	0.0	-0.2222	-0.2222	2	0	0	46	0	1	1
C-D	-27.4054	-52.9751	-108.999	-189.3795	77	5	0	5710	2	27	24
C-B	0.0	0.0	-0.0156	-0.0156	4	0	0	9	0	1	0
C-G	0.0	5.0341	-8.6311	-3.597	18	0	0	477	0	15	13
C-H	-24.1523	-77.1125	-38.0659	-139.3307	25	2	0	1182	8	12	12
C-K	-4.7314	1.6951	-97.8993	-100.9356	56	5	3	4314	0	18	15
C-L	0.0	0.0	-0.3627	-0.3627	4	0	0	58	0	2	1
D-B	-210.4654	66.6976	-533.153	-676.9208	143	32	3	20681	2	46	46
D-E	-23.8833	-78.1443	-21.7611	-123.7887	24	4	0	1151	8	11	12
D-F	0.0	8.4966	-7.2803	1.2163	19	0	0	467	0	14	13
D-I	0.0	0.0	-4.6474	-4.6474	15	0	0	225	0	17	12
D-J	0.0	10.9189	-0.0266	10.8923	7	0	0	8	0	9	8
B-E	0.0	6.8319	-8.8613	-2.0295	20	0	0	549	0	14	14
B-F	0.0	40.414	-75.1075	-34.6935	51	15	1	3976	0	36	31
B-I	0.0	0.0	-4.5976	-4.5976	10	0	0	312	0	9	9
B-J	0.0	-26.6363	-17.5822	-44.2185	21	2	0	957	3	16	13
B-K	0.0	3.3753	-0.4347	2.9406	6	0	0	85	0	10	9
E-F	-232.5123	69.3927	-552.621	-715.7406	145	35	3	20860	1	47	44
E-I	0.0	0.0	-0.3087	-0.3087	4	0	0	53	0	2	1
E-J	-13.0174	-5.5506	-96.3226	-114.8906	53	6	2	4235	1	16	15
F-I	0.0	0.0	-0.8861	-0.8861	2	0	0	65	0	2	1
F-J	0.0	0.0	-0.3317	-0.3317	4	0	0	60	0	2	0
G-H	-235.4664	57.6986	-532.398	-710.1658	144	35	3	20425	1	47	45
G-K	0.0	-11.5699	-17.3226	-28.8925	15	1	0	769	1	16	12
G-L	0.0	-0.8072	-0.4974	-1.3046	9	0	0	117	0	8	8
H-K	0.0	11.9159	-0.2262	11.6898	13	0	0	52	0	9	9
H-L	0.0	5.9081	-9.7214	-3.8133	17	0	0	367	0	17	13
I-J	-248.8271	68.7908	-543.186	-723.2223	145	32	3	20647	2	47	47
K-L	-209.0358	63.3333	-544.974	-690.6765	144	31	3	20266	4	47	46

Interface residues

• A-C: ALA122A, ALA122C, ARG24A, ARG24C, ARG53A, ARG53C, ARG58A, ARG58C, ASN103C, ASN135C, ASN43A, ASN43C, ASN48A, ASN48C, ASP125A, ASP125C, ASP161A, ASP161C, ASP163A, ASP163C, ASP22A, ASP22C, ASP35A, ASP35C, GLN46A, GLN46C, GLN69C, GLU104A, GLU104C, GLU136A, GLU136C, GLU29A, GLU29C, GLU34A, GLU34C, GLY25A, GLY25C, GLY55A, GLY55C, GLY59A, GLY59C, GLY78A, GLY78C, HIS107A, HIS107C, HIS61A, HIS61C, ILE127A, ILE127C, ILE129A, ILE129C, ILE132A, ILE132C, ILE158A, ILE158C, ILE159A, ILE159C, ILE45A, ILE45C, ILE72A, LEU164A, LEU164C, LEU28A, LEU28C, LYS162A, LYS162C, LYS23A, LYS23C, LYS32A, LYS32C, LYS54A, LYS54C, LYS77A, LYS77C, MET109A, MET109C, MET49A, MET49C, PHE120A, PHE120C, PHE131A, PHE131C, PHE20A, PHE20C, PHE26A, PHE26C, PHE27A, PHE27C, PHE31A, PHE31C, PHE36A, PHE36C, PHE3A, PHE3C, PHE51A, PHE51C, PHE74A, PHE74C, PRO139A, PRO139C, PRO17C, PRO21A, PRO21C, PRO2A, PRO2C, PRO76A, PRO76C, SER126A, SER126C, SER138A, SER138C, SER160A, SER160C, SER33A, SER33C, SER50A, SER50C, SER52A, SER52C, THR37A, THR47A, THR47C, TYR130A, TYR130C, TYR137A, TYR137C, VAL128A, VAL128C, VAL157A, VAL157C, VAL19A, VAL19C, VAL30A, VAL30C, VAL44A, VAL44C, VAL56A, VAL56C, VAL57A, VAL57C, VAL75A, VAL75C
• A-G: ARG24A, ARG24G, ASN103A, ASN103G, ASN106A, ASN106G, ASP22A, ASP22G, GLU104A, GLU104G, GLU105A, GLU105G, GLU4A, GLU4G, GLU6A, GLU6G, GLY25A, GLY25G, HIS107A, HIS107G, LEU14G, LEU28A, LEU28G, LYS16A, LYS16G, LYS18A, LYS18G, LYS23A, LYS23G, LYS77A, LYS77G, MET1A, MET1G, PHE20A, PHE20G, PHE26A, PHE26G, PHE27A, PHE27G, PRO21A, PRO21G, TYR108A, TYR108G, VAL19A, VAL19G
• A-H: ARG24A, ARG53H, ASP125H, ASP161H, ASP22A, GLU124A, GLY25A, LYS23A, LYS54H, LYS77A, LYS77H, MET49H, PHE51H, PRO21A, SER52H
• A-K: ASP161K, ILE159K, LEU164K, LYS23A
• A-L: LYS23A, LYS23L
• C-D: ALA100C, ARG40C, ARG40D, ARG79C, ARG88C, ARG88D, ASN103C, ASN106C, ASN135D, ASN7C, ASN7D, ASP176D, ASP35C, ASP86C, ASP86D, GLN69D, GLU101C, GLU4C, GLU68D, GLU6C, GLY115D, GLY11C, GLY11D, GLY70D, GLY9C, GLY9D, HIS134D, HIS141D, ILE12C, ILE12D, ILE13C, ILE13D, ILE41C, ILE41D, ILE45D, LEU102C, LEU110C, LEU14C, LEU81C, LEU8C, LYS16C, LYS38C, LYS38D, LYS67D, LYS89D, LYS96C, LYS99C, MET10C, MET10D, MET1C, MET39C, MET39D, PHE116D, PHE175D, PHE36C, PHE3C, PHE5C, PRO113D, PRO114D, PRO2C, PRO42D, PRO66D, PRO92C, PRO92D, SER90D, SER91C, SER91D, THR133D, THR37C, THR37D, THR65D, THR93C, THR93D, TRP111D, TYR108C, VAL174D, VAL98C
• C-B: ASN43B, GLU34B, LYS96C, PRO92C
• C-G: ARG24G, ARG53C, ASP125C, ASP161C, ASP22G, GLN165C, GLU104G, GLU124G, GLY25G, LYS23G, LYS54C, LYS54G, LYS77C, LYS77G, MET49C, PHE51C, PRO21G, SER52C
• C-H: ALA122C, ARG53C, ARG53H, ASP125C, ASP125H, GLU124C, GLU124H, GLU156C, GLU156H, GLY55C, GLY55H, ILE158C, ILE158H, LYS54C, LYS54H, LYS77C, LYS77H, PHE51C, PHE51H, SER126C, SER126H, SER52C, SER52H, VAL56C, VAL56H
• C-K: ARG143K, ARG53C, ASP151C, ASP151K, ASP161C, ASP161K, ASP163C, ASP163K, CYS144C, CYS144K, CYS166C, CYS166K, GLN165C, GLN165K, GLU156C, GLU156K, GLU170C, GLU170K, ILE150C, ILE150K, ILE154C, ILE154K, ILE158C, ILE158K, ILE159C, ILE159K, LEU164C, LEU164K, LYS155C, LYS155K, LYS162C, LYS162K, LYS171C, LYS171K, LYS99K, PRO153C, PRO153K, PRO167C, PRO167K, SER146C, SER146K, SER148C, SER148K, SER160C, SER160K, SER168C, SER168K, TRP152C, TRP152K, TYR147C, TYR147K, TYR149C, TYR149K, VAL157C, VAL157K, VAL57C
• C-L: ASP161C, ILE159C, LEU164C, LYS23L
• D-B: ALA122B, ALA122D, ARG24B, ARG24D, ARG53B, ARG53D, ARG58B, ARG58D, ASN103D, ASN43B, ASN43D, ASN48B, ASN48D, ASP125B, ASP125D, ASP161B, ASP161D, ASP163B, ASP163D, ASP22B, ASP22D, ASP35B, ASP35D, GLN46B, GLN46D, GLN69B, GLU104B, GLU104D, GLU136B, GLU136D, GLU142B, GLU142D, GLU29B, GLU29D, GLU34B, GLU34D, GLY25B, GLY25D, GLY55B, GLY55D, GLY59B, GLY59D, GLY78B, GLY78D, HIS107B, HIS107D, HIS61B, HIS61D, ILE127B, ILE127D, ILE129B, ILE129D, ILE132B, ILE132D, ILE158B, ILE158D, ILE159B, ILE159D, ILE45B, ILE45D, LEU164B, LEU164D, LEU28B, LEU28D, LYS162B, LYS162D, LYS23B, LYS23D, LYS32B, LYS32D, LYS54B, LYS54D, LYS67D, LYS77B, LYS77D, MET109D, MET49B, MET49D, PHE120B, PHE120D, PHE131B, PHE131D, PHE20B, PHE20D, PHE26B, PHE26D, PHE27B, PHE27D, PHE31B, PHE31D, PHE36B, PHE36D, PHE3B, PHE3D, PHE51B, PHE51D, PHE74B, PHE74D, PRO139B, PRO139D, PRO17D, PRO21B, PRO21D, PRO2B, PRO2D, PRO76B, PRO76D, SER126B, SER126D, SER138B, SER138D, SER160B, SER160D, SER33B, SER33D, SER50B, SER50D, SER52B, SER52D, THR37B, THR37D, THR47B, THR47D, TYR130B, TYR130D, TYR137B, TYR137D, VAL128B, VAL128D, VAL157B, VAL157D, VAL19B, VAL19D, VAL30B, VAL30D, VAL44B, VAL44D, VAL56B, VAL56D, VAL57B, VAL57D, VAL75B, VAL75D
• D-E: ARG53D, ARG53E, ASP125D, ASP125E, GLU124D, GLU124E, GLU156D, GLU156E, GLY55D, GLY55E, ILE158D, ILE158E, LYS54D, LYS54E, LYS77D, LYS77E, PHE51D, PHE51E, SER126D, SER126E, SER52D, SER52E, VAL56D, VAL56E
• D-F: ARG24F, ARG53D, ARG79F, ASP125D, ASP125F, ASP161D, ASP22F, GLN165D, GLU105F, GLU124F, GLY25F, LYS162D, LYS23F, LYS54F, LYS77D, LYS77F, MET49D, PHE51D, PRO21F
• D-I: ASP22D, ASP22I, GLU104D, GLU104I, GLU105D, GLU105I, LYS23D, LYS23I, LYS77D, LYS77I, PHE20I, PHE26D, PRO21D, PRO21I, VAL19I
• D-J: ASP125D, ASP125J, ASP161J, GLU124D, LYS23D, LYS77J, PHE51J
• B-E: ARG24B, ARG53E, ARG79B, ASP125E, ASP161E, ASP22B, GLN165E, GLU104B, GLU105B, GLU124B, GLY25B, LYS162E, LYS23B, LYS54B, LYS54E, LYS77E, MET49E, PHE51E, PRO21B, SER52E
• B-F: ARG24B, ARG24F, ARG79B, ARG79F, ASN103B, ASN103F, ASN106B, ASN106F, ASP22B, ASP22F, GLU104B, GLU104F, GLU105B, GLU105F, GLU4B, GLU4F, GLU6B, GLU6F, GLY25B, GLY25F, HIS107B, HIS107F, LEU14B, LEU14F, LEU28B, LEU28F, LEU8B, LEU8F, LYS16B, LYS16F, LYS18B, LYS18F, LYS23B, LYS23F, LYS77F, MET1B, MET1F, PHE20B, PHE20F, PHE26B, PHE26F, PHE27B, PHE27F, PRO17B, PRO21B, PRO21F, PRO2F, TYR108B, TYR108F, VAL19B, VAL19F
• B-I: ARG24I, ARG53B, ASP125B, ASP22I, GLY25I, LYS23I, LYS77B, PHE26I, PHE51B, PRO21I
• B-J: ARG53B, ARG53J, ASP125B, ASP125J, GLU124B, GLU124J, GLU156B, GLU156J, GLY55J, ILE154J, ILE158B, ILE158J, LYS54B, LYS54J, LYS77B, PHE51B, PHE51J, SER126B, SER52B, SER52J, VAL56J
• B-K: ASP176B, ASP176K, GLU173K, LYS89K, PRO66B, THR65B
• E-F: ALA122E, ALA122F, ARG24E, ARG24F, ARG53E, ARG53F, ARG58E, ARG58F, ASN103E, ASN103F, ASN43E, ASN43F, ASN48E, ASN48F, ASP125E, ASP125F, ASP161E, ASP161F, ASP163E, ASP163F, ASP22E, ASP22F, ASP35E, ASP35F, GLN46E, GLN46F, GLN69F, GLU104E, GLU104F, GLU136E, GLU136F, GLU142E, GLU29E, GLU29F, GLU34E, GLU34F, GLY25E, GLY25F, GLY55E, GLY55F, GLY59E, GLY59F, GLY78E, GLY78F, HIS107E, HIS107F, HIS61E, HIS61F, ILE127E, ILE127F, ILE129E, ILE129F, ILE132E, ILE132F, ILE158E, ILE158F, ILE159E, ILE159F, ILE45E, ILE45F, LEU164E, LEU164F, LEU28E, LEU28F, LYS162E, LYS162F, LYS23E, LYS23F, LYS32E, LYS32F, LYS54E, LYS54F, LYS67E, LYS77E, LYS77F, MET109E, MET109F, MET49E, MET49F, PHE120E, PHE120F, PHE131E, PHE131F, PHE20E, PHE20F, PHE26E, PHE26F, PHE27E, PHE27F, PHE31E, PHE31F, PHE36E, PHE36F, PHE3E, PHE3F, PHE51E, PHE51F, PHE74E, PHE74F, PRO139E, PRO139F, PRO17E, PRO17F, PRO21E, PRO21F, PRO2E, PRO2F, PRO76E, PRO76F, SER126E, SER126F, SER138E, SER138F, SER160E, SER160F, SER33E, SER33F, SER50E, SER50F, SER52E, SER52F, THR37E, THR37F, THR47E, THR47F, TYR130E, TYR130F, TYR137E, TYR137F, VAL128E, VAL128F, VAL157E, VAL157F, VAL19E, VAL19F, VAL30E, VAL30F, VAL44E, VAL44F, VAL56E, VAL56F, VAL57E, VAL57F, VAL75E, VAL75F
• E-I: ASP161E, ILE159E, LEU164E, LYS23I
• E-J: ARG143E, ARG53E, ARG53J, ASP151E, ASP151J, ASP161E, ASP161J, ASP163E, ASP163J, CYS144E, CYS166E, CYS166J, GLN165E, GLN165J, GLU156E, GLU156J, GLU170E, GLU170J, ILE150E, ILE150J, ILE154E, ILE154J, ILE158E, ILE158J, ILE159E, ILE159J, LEU164E, LEU164J, LYS155E, LYS155J, LYS162E, LYS162J, LYS171E, LYS171J, LYS99J, PRO167E, PRO167J, SER146E, SER146J, SER148E, SER148J, SER160E, SER160J, SER168E, SER168J, TRP152J, TYR147E, TYR147J, TYR149E, TYR149J, VAL157E, VAL157J, VAL57E
• F-I: LYS23F, LYS23I
• F-J: ASP161J, ILE159J, LEU164J, LYS23F
• G-H: ALA122G, ALA122H, ARG24G, ARG24H, ARG53G, ARG53H, ARG58G, ARG58H, ASN103H, ASN135H, ASN43G, ASN43H, ASN48G, ASN48H, ASP125G, ASP125H, ASP161G, ASP161H, ASP163G, ASP163H, ASP22G, ASP22H, ASP35G, ASP35H, GLN46G, GLN46H, GLN69H, GLU104G, GLU104H, GLU136G, GLU136H, GLU29G, GLU29H, GLU34G, GLU34H, GLY25G, GLY25H, GLY55G, GLY55H, GLY59G, GLY59H, GLY78G, GLY78H, HIS107G, HIS107H, HIS61G, HIS61H, ILE127G, ILE127H, ILE129G, ILE129H, ILE132G, ILE132H, ILE158G, ILE158H, ILE159G, ILE159H, ILE45G, ILE45H, LEU164G, LEU164H, LEU28G, LEU28H, LYS162G, LYS162H, LYS23G, LYS23H, LYS32G, LYS32H, LYS38G, LYS54G, LYS54H, LYS77G, LYS77H, MET109G, MET109H, MET1G, MET49G, MET49H, PHE120G, PHE120H, PHE131G, PHE131H, PHE20G, PHE20H, PHE26G, PHE26H, PHE27G, PHE27H, PHE31G, PHE31H, PHE36G, PHE36H, PHE3G, PHE3H, PHE51G, PHE51H, PHE74G, PHE74H, PRO139G, PRO139H, PRO17G, PRO17H, PRO21G, PRO21H, PRO2G, PRO2H, PRO76G, PRO76H, SER126G, SER126H, SER138G, SER138H, SER160G, SER160H, SER33G, SER33H, SER50G, SER50H, SER52G, SER52H, THR37G, THR47G, THR47H, TYR130G, TYR130H, TYR137G, TYR137H, VAL128G, VAL128H, VAL157G, VAL157H, VAL19G, VAL19H, VAL30G, VAL30H, VAL44G, VAL44H, VAL56G, VAL56H, VAL57G, VAL57H, VAL75G, VAL75H
• G-K: ARG53G, ARG53K, ASP125G, ASP125K, GLU124G, GLU156G, GLU156K, ILE158G, ILE158K, LYS54G, LYS54K, LYS77G, PHE51G, PHE51K, SER52K
• G-L: ARG24L, ARG53G, ASP125G, ASP22L, GLY25L, LYS23L, LYS77G, PHE26L, PHE51G
• H-K: ARG24H, ARG53K, ASP125H, ASP125K, ASP161K, ASP22H, GLU124H, GLY25H, LYS23H, LYS54H, LYS77H, PHE26H, PHE51K
• H-L: ASN106H, ASP22H, ASP22L, GLU104H, GLU105H, GLU105L, GLU124H, LYS18H, LYS18L, LYS23L, LYS77H, PHE20H, PHE20L, PRO21H, PRO21L, VAL19H, VAL19L
• I-J: ALA122I, ALA122J, ARG24I, ARG24J, ARG53I, ARG53J, ARG58I, ARG58J, ASN103I, ASN103J, ASN135I, ASN135J, ASN43I, ASN43J, ASN48I, ASN48J, ASP125I, ASP125J, ASP161I, ASP161J, ASP163I, ASP163J, ASP22I, ASP22J, ASP35I, ASP35J, GLN46I, GLN46J, GLN69J, GLU104I, GLU104J, GLU136I, GLU136J, GLU29I, GLU29J, GLU34I, GLU34J, GLY25I, GLY25J, GLY55I, GLY55J, GLY59I, GLY59J, GLY78I, GLY78J, HIS107I, HIS107J, HIS61I, HIS61J, ILE127I, ILE127J, ILE129I, ILE129J, ILE132I, ILE132J, ILE158I, ILE158J, ILE159I, ILE159J, ILE45I, ILE45J, LEU164I, LEU164J, LEU28I, LEU28J, LYS162I, LYS162J, LYS23I, LYS23J, LYS32I, LYS32J, LYS54I, LYS54J, LYS77I, LYS77J, MET109I, MET109J, MET49I, MET49J, PHE120I, PHE120J, PHE131I, PHE131J, PHE20I, PHE20J, PHE26I, PHE26J, PHE27I, PHE27J, PHE31I, PHE31J, PHE36I, PHE36J, PHE3I, PHE3J, PHE51I, PHE51J, PHE74I, PHE74J, PRO139I, PRO139J, PRO17I, PRO17J, PRO21I, PRO21J, PRO2I, PRO2J, PRO76I, PRO76J, SER126I, SER126J, SER138I, SER138J, SER160I, SER160J, SER33I, SER33J, SER50I, SER50J, SER52I, SER52J, THR133I, THR37I, THR47I, THR47J, TYR130I, TYR130J, TYR137I, TYR137J, VAL128I, VAL128J, VAL157I, VAL157J, VAL19I, VAL19J, VAL30I, VAL30J, VAL44I, VAL44J, VAL56I, VAL56J, VAL57I, VAL57J, VAL75I, VAL75J
• K-L: ALA122K, ALA122L, ARG24K, ARG24L, ARG53K, ARG53L, ARG58K, ARG58L, ASN103K, ASN103L, ASN135L, ASN43K, ASN43L, ASN48K, ASN48L, ASP125K, ASP125L, ASP161K, ASP161L, ASP163K, ASP163L, ASP22K, ASP22L, ASP35K, ASP35L, GLN46K, GLN46L, GLU104K, GLU104L, GLU136K, GLU136L, GLU142L, GLU29K, GLU29L, GLU34K, GLU34L, GLY25K, GLY25L, GLY55K, GLY55L, GLY59K, GLY59L, GLY78K, GLY78L, HIS107K, HIS107L, HIS61K, HIS61L, ILE127K, ILE127L, ILE129K, ILE129L, ILE132K, ILE132L, ILE158K, ILE158L, ILE159K, ILE159L, ILE45K, ILE45L, LEU164K, LEU164L, LEU28K, LEU28L, LYS162K, LYS162L, LYS23K, LYS23L, LYS32K, LYS32L, LYS54K, LYS54L, LYS67L, LYS77K, LYS77L, MET109K, MET109L, MET49K, MET49L, PHE120K, PHE120L, PHE131K, PHE131L, PHE20K, PHE20L, PHE26K, PHE26L, PHE27K, PHE27L, PHE31K, PHE31L, PHE36K, PHE36L, PHE3L, PHE51K, PHE51L, PHE74K, PHE74L, PRO139K, PRO139L, PRO17K, PRO17L, PRO21K, PRO21L, PRO2K, PRO2L, PRO76K, PRO76L, SER126K, SER126L, SER138K, SER138L, SER160K, SER160L, SER33K, SER33L, SER50K, SER50L, SER52K, SER52L, THR37K, THR37L, THR47K, THR47L, TYR130K, TYR130L, TYR137K, TYR137L, VAL128K, VAL128L, VAL157K, VAL157L, VAL19K, VAL19L, VAL30K, VAL30L, VAL44K, VAL44L, VAL56K, VAL56L, VAL57K, VAL57L, VAL75K, VAL75L