Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4P9H

Crystal structure of 8ANC195 Fab in complex with gp120 of 93TH057 HIV-1 and soluble CD4 D1D2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (C)	T-cell surface glycoprotein CD4	polymer	192	21444.3	1	UniProt (P01730) Pfam (PF00047) Pfam (PF05790)	Homo sapiens (Human)	T-cell surface antigen T4/Leu-3
2	B (G)	Envelope glycoprotein gp160	polymer	361	40274.6	1	UniProt (Q0ED31)	Human immunodeficiency virus 1
3	C (H)	Fab heavy chain	polymer	244	26125.3	1		Homo sapiens
4	D (L)	Fab light chain	polymer	215	23402.0	1		Homo sapiens
5	E, I (A, F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	2	In PDB GlyTouCan (G42666HT)
6	F (B)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1721.5	1	In PDB GlyTouCan (G40702WU)
7	G (D)	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G81315DD)
8	H (E)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
9	J (I)	alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	1	In PDB GlyTouCan (G22573RC)
10	K (G)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
11	L, M (G)	BENZAMIDINE	non-polymer		120.2	2	Chemie (BEN)
12	N, O, P (G, H)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)

Sequence modifications

C: 1 - 182 (UniProt: P01730)

PDB	External Database	Details
Thr 75	Lys 100	conflict
Ile 183	-	expression tag
Asp 184	-	expression tag
Gly 185	-	expression tag
Arg 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag
His 190	-	expression tag
His 191	-	expression tag
His 192	-	expression tag

G: 44 - 123 (UniProt: Q0ED31)

PDB	External Database	Details
Cys 65	Val 64	conflict
Gln 88	Asn 87	conflict
Cys 115	Ser 114	conflict
Gly 124	-	expression tag
Gly 198	-	expression tag
Ser 199	-	expression tag
Val 200	-	expression tag
Ile 201	-	expression tag
Lys 202	-	expression tag
Gln 203	-	expression tag
Ala 204	-	expression tag
Cys 205	-	expression tag
Pro 206	-	expression tag
Lys 207	-	expression tag
Ile 208	-	expression tag
Ser 209	-	expression tag
Phe 210	-	expression tag
Asp 211	-	expression tag
Pro 212	-	expression tag
Ile 213	-	expression tag
Pro 214	-	expression tag
Ile 215	-	expression tag
His 216	-	expression tag
Tyr 217	-	expression tag
Cys 218	-	expression tag
Thr 219	-	expression tag
Pro 220	-	expression tag
Ala 221	-	expression tag
Gly 222	-	expression tag
Tyr 223	-	expression tag
Val 224	-	expression tag
Ile 225	-	expression tag
Leu 226	-	expression tag
Lys 227	-	expression tag
Cys 228	-	expression tag
Asn 229	-	expression tag
Asp 230	-	expression tag
Lys 231	-	expression tag
Asn 232	-	expression tag
Phe 233	-	expression tag
Asn 234	-	expression tag
Gly 235	-	expression tag
Thr 236	-	expression tag
Gly 237	-	expression tag
Pro 238	-	expression tag
Cys 239	-	expression tag
Lys 240	-	expression tag
Asn 241	-	expression tag
Val 242	-	expression tag
Ser 243	-	expression tag
Ser 244	-	expression tag
Val 245	-	expression tag
Gln 246	-	expression tag
Cys 247	-	expression tag
Thr 248	-	expression tag
His 249	-	expression tag
Gly 250	-	expression tag
Ile 251	-	expression tag
Lys 252	-	expression tag
Pro 253	-	expression tag
Val 254	-	expression tag
Val 255	-	expression tag
Ser 256	-	expression tag
Thr 257	-	expression tag
Gln 258	-	expression tag
Leu 259	-	expression tag
Leu 260	-	expression tag
Leu 261	-	expression tag
Asn 262	-	expression tag
Gly 263	-	expression tag
Ser 264	-	expression tag
Leu 265	-	expression tag
Ala 266	-	expression tag
Glu 267	-	expression tag
Glu 268	-	expression tag
Glu 269	-	expression tag
Ile 270	-	expression tag
Ile 271	-	expression tag
Ile 272	-	expression tag
Arg 273	-	expression tag
Ser 274	-	expression tag
Glu 275	-	expression tag
Asn 276	-	expression tag
Leu 277	-	expression tag
Thr 278	-	expression tag
Asn 279	-	expression tag
Asn 280	-	expression tag
Ala 281	-	expression tag
Lys 282	-	expression tag
Thr 283	-	expression tag
Ile 284	-	expression tag
Ile 285	-	expression tag
Val 286	-	expression tag
His 287	-	expression tag
Leu 288	-	expression tag
Gln 289	-	expression tag
Lys 290	-	expression tag
Ser 291	-	expression tag
Val 292	-	expression tag
Glu 293	-	expression tag
Ile 294	-	expression tag
Asn 295	-	expression tag
Cys 296	-	expression tag
Thr 297	-	expression tag
Arg 298	-	expression tag
Pro 299	-	expression tag
Ser 300	-	expression tag
Asn 301	-	expression tag
Gly 318	-	expression tag
Gly 319	-	expression tag
Ser 320	-	expression tag
Gly 321	-	expression tag
Ser 322	-	expression tag
Gly 323	-	expression tag
Gly 324	-	expression tag
Asp 325	-	expression tag
Ile 326	-	expression tag
Arg 327	-	expression tag
Lys 328	-	expression tag
Ala 329	-	expression tag
Tyr 330	-	expression tag
Cys 331	-	expression tag
Glu 332	-	expression tag
Ile 333	-	expression tag
Gln 334	-	expression tag
Gly 335	-	expression tag
Thr 336	-	expression tag
Lys 337	-	expression tag
Trp 338	-	expression tag
Asn 339	-	expression tag
Lys 340	-	expression tag
Val 341	-	expression tag
Leu 342	-	expression tag
Lys 343	-	expression tag
Gln 344	-	expression tag
Val 345	-	expression tag
Thr 346	-	expression tag
Glu 347	-	expression tag
Lys 348	-	expression tag
Leu 349	-	expression tag
Lys 350	-	expression tag
Glu 351	-	expression tag
His 352	-	expression tag
Phe 353	-	expression tag
Asn 354	-	expression tag
Asn 355	-	expression tag
Lys 357	-	expression tag
Thr 358	-	expression tag
Ile 359	-	expression tag
Ile 360	-	expression tag
Phe 361	-	expression tag
Gln 362	-	expression tag
Pro 363	-	expression tag
Pro 364	-	expression tag
Ser 365	-	expression tag
Gly 366	-	expression tag
Gly 367	-	expression tag
Asp 368	-	expression tag
Leu 369	-	expression tag
Glu 370	-	expression tag
Ile 371	-	expression tag
Thr 372	-	expression tag
Met 373	-	expression tag
His 374	-	expression tag
His 375	-	expression tag
Phe 376	-	expression tag
Asn 377	-	expression tag
Cys 378	-	expression tag
Arg 379	-	expression tag
Gly 380	-	expression tag
Glu 381	-	expression tag
Phe 382	-	expression tag
Phe 383	-	expression tag
Tyr 384	-	expression tag
Cys 385	-	expression tag
Asn 386	-	expression tag
Thr 387	-	expression tag
Thr 388	-	expression tag
Gln 389	-	expression tag
Leu 390	-	expression tag
Phe 391	-	expression tag
Gln 392	-	expression tag
Asn 393	-	expression tag
Thr 394	-	expression tag
Cys 395	-	expression tag
Ile 402	-	expression tag
Gly 403	-	expression tag
Asn 404	-	expression tag
Glu 405	-	expression tag
Thr 406	-	expression tag
Met 407	-	expression tag
Lys 408	-	expression tag
Gly 409	-	expression tag
Cys 410	-	expression tag
Asn 411	-	expression tag
Gly 412	-	expression tag
Thr 413	-	expression tag
Ile 414	-	expression tag
Thr 415	-	expression tag
Leu 416	-	expression tag
Pro 417	-	expression tag
Cys 418	-	expression tag
Lys 419	-	expression tag
Ile 420	-	expression tag
Lys 421	-	expression tag
Gln 422	-	expression tag
Ile 423	-	expression tag
Ile 424	-	expression tag
Asn 425	-	expression tag
Met 426	-	expression tag
Trp 427	-	expression tag
Gln 428	-	expression tag
Gly 429	-	expression tag
Thr 430	-	expression tag
Gly 431	-	expression tag
Gln 432	-	expression tag
Ala 433	-	expression tag
Met 434	-	expression tag
Tyr 435	-	expression tag
Ala 436	-	expression tag
Pro 437	-	expression tag
Pro 438	-	expression tag
Ile 439	-	expression tag
Asp 440	-	expression tag
Gly 441	-	expression tag
Lys 442	-	expression tag
Ile 443	-	expression tag
Asn 444	-	expression tag
Cys 445	-	expression tag
Val 446	-	expression tag
Ser 447	-	expression tag
Gln 448	-	expression tag
Ile 449	-	expression tag
Thr 450	-	expression tag
Gly 451	-	expression tag
Ile 452	-	expression tag
Leu 453	-	expression tag
Leu 454	-	expression tag
Thr 455	-	expression tag
Arg 456	-	expression tag
Asp 457	-	expression tag
Gly 458	-	expression tag
Gly 459	-	expression tag
Ala 460	-	expression tag
Asn 461	-	expression tag
Asn 462	-	expression tag
Thr 463	-	expression tag
Ser 464	-	expression tag
Asn 465	-	expression tag
Glu 466	-	expression tag
Thr 467	-	expression tag
Phe 468	-	expression tag
Arg 469	-	expression tag
Pro 470	-	expression tag
Gly 471	-	expression tag
Gly 472	-	expression tag
Gly 473	-	expression tag
Asn 474	-	expression tag
Ile 475	-	expression tag
Lys 476	-	expression tag
Asp 477	-	expression tag
Asn 478	-	expression tag
Trp 479	-	expression tag
Arg 480	-	expression tag
Ser 481	-	expression tag
Glu 482	-	expression tag
Leu 483	-	expression tag
Tyr 484	-	expression tag
Lys 485	-	expression tag
Tyr 486	-	expression tag
Lys 487	-	expression tag
Val 488	-	expression tag
Val 489	-	expression tag
Gln 490	-	expression tag
Ile 491	-	expression tag
Glu 492	-	expression tag
Gly 493	-	expression tag
Ser 494	-	expression tag
His 495	-	expression tag
His 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag

Sequence viewer

Contents of the asymmetric unit

Polymers	Number of chains	4
Polymers	Total formula weight	111246.2
Branched	Number of molecules	6
Branched	Total formula weight	4978.5
Non-Polymers*	Number of molecules	6
Non-Polymers*	Total formula weight	1142.2
All*	Total formula weight	117366.9

*Water molecules are not included.

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)